methyl (5-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (5-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
methyl (5-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F404-0067 |
| Compound Name: | methyl (5-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | COC(CC1=CC(N(CC(Nc2cccc(c2)SC)=O)c2ccccc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8793 |
| logD: | 2.5178 |
| logSw: | -3.4952 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.304 |
| InChI Key: | MHBZEVRMSCCIJN-UHFFFAOYSA-N |