N-[3-(cyclohexylsulfanyl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4781 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 452.68 |
| Molecular Formula: | C26 H32 N2 O S2 |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCCSC1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5581 |
| logD: | 6.5579 |
| logSw: | -5.5635 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.678 |
| InChI Key: | XQPILQUQLJNMKF-UHFFFAOYSA-N |