1-oxo-2-(propan-2-yl)-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Chemical Structure Depiction of
1-oxo-2-(propan-2-yl)-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
1-oxo-2-(propan-2-yl)-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
Compound characteristics
| Compound ID: | P896-0930 |
| Compound Name: | 1-oxo-2-(propan-2-yl)-N-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C18 H20 F3 N3 O3 S |
| Smiles: | CC(C)N1CCCn2cc(cc2C1=O)S(Nc1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2372 |
| logD: | 2.9801 |
| logSw: | -3.6401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.117 |
| InChI Key: | VNXDVNCXFVNGQW-UHFFFAOYSA-N |