methyl {5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0512 |
| Compound Name: | methyl {5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C23 H24 Cl N3 O5 |
| Smiles: | Cc1cc2c(cc1C)N(CC(Nc1cc(ccc1OC)[Cl])=O)C(C=C(CC(=O)OC)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.627 |
| logD: | 3.2984 |
| logSw: | -3.9045 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.237 |
| InChI Key: | NUWRHBDQJRVQMY-UHFFFAOYSA-N |