ethyl {5-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
ethyl {5-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
ethyl {5-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0356 |
| Compound Name: | ethyl {5-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-7,8-dimethyl-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 501.97 |
| Molecular Formula: | C25 H28 Cl N3 O6 |
| Smiles: | CCOC(CC1=CC(N(CC(Nc2cc(c(cc2OC)OC)[Cl])=O)c2cc(C)c(C)cc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1255 |
| logD: | 3.797 |
| logSw: | -4.4056 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.447 |
| InChI Key: | HZWUGPJQILAFAH-UHFFFAOYSA-N |