(3R)-3-(3-oxo-3-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}propyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Chemical Structure Depiction of
(3R)-3-(3-oxo-3-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}propyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
(3R)-3-(3-oxo-3-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}propyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Compound characteristics
| Compound ID: | J101-0322 |
| Compound Name: | (3R)-3-(3-oxo-3-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}propyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | C(C[C@@H]1C(Nc2ccccc2C(N1)=O)=O)C(N1CCN(CCc2ccncc2)CC1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7768 |
| logD: | 0.7022 |
| logSw: | -1.7889 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.29 |
| InChI Key: | XRJAGLGHLXFIEV-HXUWFJFHSA-N |