methyl {7,8-dimethyl-4-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {7,8-dimethyl-4-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {7,8-dimethyl-4-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0442 |
| Compound Name: | methyl {7,8-dimethyl-4-oxo-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C26 H30 N4 O4 |
| Smiles: | Cc1cc2c(cc1C)N(CC(N1CCN(CC1)c1ccccc1)=O)C(C=C(CC(=O)OC)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9378 |
| logD: | 2.6092 |
| logSw: | -3.3555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.808 |
| InChI Key: | OMLLBPMMRYVYMU-UHFFFAOYSA-N |