methyl 10-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0255 |
| Compound Name: | methyl 10-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C24 H20 N2 O4 S2 |
| Smiles: | COC(c1ccc2c(c1)N(CC(Nc1cccc(c1)SC)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1846 |
| logD: | 5.1846 |
| logSw: | -4.924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.724 |
| InChI Key: | PNCROKLMVVVFTN-UHFFFAOYSA-N |