methyl {5-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0053 |
| Compound Name: | methyl {5-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 459.89 |
| Molecular Formula: | C22 H22 Cl N3 O6 |
| Smiles: | COC(CC1=CC(N(CC(Nc2cc(c(cc2OC)OC)[Cl])=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7172 |
| logD: | 2.3557 |
| logSw: | -3.4553 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.867 |
| InChI Key: | NUUPHBLNGBPVFJ-UHFFFAOYSA-N |