1-oxo-N-[3-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Chemical Structure Depiction of
1-oxo-N-[3-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
1-oxo-N-[3-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Compound characteristics
| Compound ID: | P896-0111 |
| Compound Name: | 1-oxo-N-[3-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | CC(C)c1cccc(c1)NS(c1cc2C(NCCCn2c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4616 |
| logD: | 2.4608 |
| logSw: | -2.8979 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.613 |
| InChI Key: | PBLZRGTWOSTPKQ-UHFFFAOYSA-N |