ethyl (7,8-dimethyl-5-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (7,8-dimethyl-5-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (7,8-dimethyl-5-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F404-0370 |
| Compound Name: | ethyl (7,8-dimethyl-5-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | CCOC(CC1=CC(N(CC(Nc2cccc(c2)SC)=O)c2cc(C)c(C)cc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2876 |
| logD: | 3.9591 |
| logSw: | -4.3097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.884 |
| InChI Key: | SDAIYOCFGFCUQO-UHFFFAOYSA-N |