ethyl 3-[(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate
ethyl 3-[(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | E145-0059 |
| Compound Name: | ethyl 3-[(3-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C19 H19 N3 O6 S |
| Smiles: | CCOC(c1cccc(c1)NS(c1ccc2c(c1)NC(C(C)C(N2)=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4929 |
| logD: | 2.2176 |
| logSw: | -3.0041 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.807 |
| InChI Key: | KYTYZUUMVYRQPL-LLVKDONJSA-N |