methyl [5-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [5-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate
methyl [5-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F404-0539 |
| Compound Name: | methyl [5-(2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl)-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C24 H26 Cl N3 O4 |
| Smiles: | Cc1cc2c(cc1C)N(CC(NCCc1ccc(cc1)[Cl])=O)C(C=C(CC(=O)OC)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3213 |
| logD: | 2.9927 |
| logSw: | -3.6778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.468 |
| InChI Key: | DEKLJWWCRVAWEP-UHFFFAOYSA-N |