methyl {5-[(2-chloro-4-fluorophenyl)methyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[(2-chloro-4-fluorophenyl)methyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[(2-chloro-4-fluorophenyl)methyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0575 |
| Compound Name: | methyl {5-[(2-chloro-4-fluorophenyl)methyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 402.85 |
| Molecular Formula: | C21 H20 Cl F N2 O3 |
| Smiles: | Cc1cc2c(cc1C)N(Cc1ccc(cc1[Cl])F)C(C=C(CC(=O)OC)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.693 |
| logD: | 4.437 |
| logSw: | -4.8025 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.155 |
| InChI Key: | MEGKOYXFBVNYLC-UHFFFAOYSA-N |