ethyl 4-[(2-methyl-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-methyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate
ethyl 4-[(2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | P896-0267 |
| Compound Name: | ethyl 4-[(2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate |
| Molecular Weight: | 391.44 |
| Molecular Formula: | C18 H21 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NS(c1cc2C(N(C)CCCn2c1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.655 |
| logD: | 1.5923 |
| logSw: | -2.6114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.699 |
| InChI Key: | QHPLFULFIFRLLK-UHFFFAOYSA-N |