2-chloro-11-ethyl-N-[3-(propylsulfanyl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-11-ethyl-N-[3-(propylsulfanyl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-11-ethyl-N-[3-(propylsulfanyl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4414 |
| Compound Name: | 2-chloro-11-ethyl-N-[3-(propylsulfanyl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 433.03 |
| Molecular Formula: | C22 H25 Cl N2 O S2 |
| Smiles: | CCCSCCCNC(c1ccc2c(c1)N=C(CC)c1cc(ccc1S2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7541 |
| logD: | 5.7539 |
| logSw: | -5.815 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.757 |
| InChI Key: | KLWLYJQUMZBFMJ-UHFFFAOYSA-N |