Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03656"

PredicateValue (sorted: default)
rdfs:label
"Tribenuron Methyl"
rdf:type
drugbank:description
" experimental This compound belongs to the aminotriazines. These are organic compounds containing an amino group attached to a triazine ring. Aminotriazines Organic Compounds Heterocyclic Compounds Triazines Aminotriazines Alkyl Aryl Ethers Sulfonylureas Sulfonamides Sulfonyls Carboxylic Acid Esters Tertiary Amines Polyamines Enolates sulfonic acid derivative sulfonamide sulfonyl carboxylic acid ester tertiary amine carboxylic acid derivative ether polyamine enolate amine organonitrogen compound logP 0.67 ALOGPS logS -2.9 ALOGPS Water Solubility 5.40e-01 g/l ALOGPS logP 1.32 ChemAxon IUPAC Name methyl (1R,2S)-2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]amino}sulfonyl)cyclohexane-1-carboxylate ChemAxon Traditional IUPAC Name methyl (1R,2S)-2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]aminosulfonyl}cyclohexane-1-carboxylate ChemAxon Molecular Weight 401.438 ChemAxon Monoisotopic Weight 401.136904183 ChemAxon SMILES COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)NC(=O)N(C)C1=NC(C)=NC(OC)=N1 ChemAxon Molecular Formula C15H23N5O6S ChemAxon InChI InChI=1S/C15H23N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h10-11H,5-8H2,1-4H3,(H,19,22)/t10-,11-/m0/s1 ChemAxon InChIKey InChIKey=YMXOXAPKZDWXLY-QWRGUYRKSA-N ChemAxon Polar Surface Area (PSA) 140.68 ChemAxon Refractivity 95.44 ChemAxon Polarizability 39.79 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 8 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 3.24 ChemAxon pKa (strongest basic) -1 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 46936745 PubChem Substance 46506226 PDB 1TB "
owl:sameAs

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