(3R)-3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Chemical Structure Depiction of
(3R)-3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
(3R)-3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Compound characteristics
| Compound ID: | Y040-5870 |
| Compound Name: | (3R)-3-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C24 H26 N4 O5 |
| Smiles: | C(C[C@@H]1C(Nc2ccccc2C(N1)=O)=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7482 |
| logD: | 1.4039 |
| logSw: | -2.7163 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.999 |
| InChI Key: | JRJJFWWECUNWHP-IBGZPJMESA-N |