N-[3-(butylsulfanyl)propyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(butylsulfanyl)propyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0899 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 426.64 |
| Molecular Formula: | C24 H30 N2 O S2 |
| Smiles: | CCCCSCCCNC(c1ccc2c(c1)N=C(C)c1c(C)ccc(C)c1S2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7901 |
| logD: | 5.7897 |
| logSw: | -5.4554 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.027 |
| InChI Key: | RIRYBJAWGYDDGR-UHFFFAOYSA-N |