(3S)-3-(2-oxo-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Chemical Structure Depiction of
(3S)-3-(2-oxo-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
(3S)-3-(2-oxo-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Compound characteristics
| Compound ID: | J100-0230 |
| Compound Name: | (3S)-3-(2-oxo-2-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
| Molecular Weight: | 447.42 |
| Molecular Formula: | C21 H20 F3 N5 O3 |
| Smiles: | C(C(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)=O)[C@H]1C(Nc2ccccc2C(N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1211 |
| logD: | 2.1087 |
| logSw: | -2.9878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.204 |
| InChI Key: | RPUSFIQCDSBMLH-INIZCTEOSA-N |