8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one
Chemical Structure Depiction of
8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one
8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | P896-0017 |
| Compound Name: | 8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one |
| Molecular Weight: | 442.46 |
| Molecular Formula: | C19 H21 F3 N4 O3 S |
| Smiles: | C1CNC(c2cc(cn2C1)S(N1CCN(CC1)c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9752 |
| logD: | 1.9752 |
| logSw: | -2.7033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.934 |
| InChI Key: | JRFXLROMWZCXLR-UHFFFAOYSA-N |