methyl {5-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0542 |
| Compound Name: | methyl {5-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C24 H26 Cl N3 O5 |
| Smiles: | Cc1cc2c(cc1C)N(CC(Nc1cc(C)c(cc1OC)[Cl])=O)C(C=C(CC(=O)OC)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.325 |
| logD: | 3.9965 |
| logSw: | -4.5041 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.237 |
| InChI Key: | IXBORCLHLJTRKM-UHFFFAOYSA-N |