7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Chemical Structure Depiction of
7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound characteristics
| Compound ID: | E977-0119 |
| Compound Name: | 7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C21 H22 F3 N3 O3 S |
| Smiles: | C1CC(Nc2ccc(cc2C1)S(N1CCN(CC1)c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1971 |
| logD: | 3.197 |
| logSw: | -3.5406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.361 |
| InChI Key: | VPYOACSNKLZZRJ-UHFFFAOYSA-N |