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 |