11-ethyl-2-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-2-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-2-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-3754 |
| Compound Name: | 11-ethyl-2-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 446.63 |
| Molecular Formula: | C26 H26 N2 O S2 |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2245 |
| logD: | 6.2241 |
| logSw: | -5.3717 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.486 |
| InChI Key: | QFJLBLBJFIRWCA-UHFFFAOYSA-N |