methyl {5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F404-0032 |
| Compound Name: | methyl {5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 399.83 |
| Molecular Formula: | C20 H18 Cl N3 O4 |
| Smiles: | COC(CC1=CC(N(CC(Nc2cccc(c2)[Cl])=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.172 |
| logD: | 2.8105 |
| logSw: | -3.4393 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.304 |
| InChI Key: | WLYKXTNNWMZDCF-UHFFFAOYSA-N |