methyl 2-[(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate
methyl 2-[(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate
Compound characteristics
Compound ID: | E145-0075 |
Compound Name: | methyl 2-[(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate |
Molecular Weight: | 403.41 |
Molecular Formula: | C18 H17 N3 O6 S |
Smiles: | CC1C(Nc2ccc(cc2NC1=O)S(Nc1ccccc1C(=O)OC)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.5789 |
logD: | -0.2285 |
logSw: | -2.533 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 111.53 |
InChI Key: | ZKWHWVBKHUAPLZ-SNVBAGLBSA-N |