ethyl 4-[(2-ethyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-ethyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate
ethyl 4-[(2-ethyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | P896-0526 |
| Compound Name: | ethyl 4-[(2-ethyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Smiles: | CCN1CCCn2cc(cc2C1=O)S(Nc1ccc(cc1)C(=O)OCC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5216 |
| logD: | 2.4589 |
| logSw: | -2.8929 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.709 |
| InChI Key: | SWAUPLROVWDEPX-UHFFFAOYSA-N |