ethyl 10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | K780-0155 |
| Compound Name: | ethyl 10-{[4-(methylsulfanyl)phenyl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C24 H21 N O3 S2 |
| Smiles: | CCOC(c1ccc2c(c1)N(Cc1ccc(cc1)SC)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5478 |
| logD: | 6.5478 |
| logSw: | -5.6035 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 36.154 |
| InChI Key: | PQZKRVIEVYOUCM-UHFFFAOYSA-N |