ethyl 3-[(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate
ethyl 3-[(2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | C698-0376 |
| Compound Name: | ethyl 3-[(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: | CCOC(c1cccc(c1)NS(c1ccc2c(c1)NC(CC(N2)=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4171 |
| logD: | 1.2424 |
| logSw: | -2.5015 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.694 |
| InChI Key: | RUIRNKVRYLNBSB-UHFFFAOYSA-N |