N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4788 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 446.63 |
| Molecular Formula: | C26 H26 N2 O S2 |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1938 |
| logD: | 6.1936 |
| logSw: | -5.5017 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.486 |
| InChI Key: | UDJGSIRFGYLOAI-UHFFFAOYSA-N |