methyl {5-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-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]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0088 |
| Compound Name: | methyl {5-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 443.89 |
| Molecular Formula: | C22 H22 Cl N3 O5 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(CN1C(C=C(CC(=O)OC)Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3694 |
| logD: | 3.0079 |
| logSw: | -3.5766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.237 |
| InChI Key: | UWBSBVKPNKPJAB-UHFFFAOYSA-N |