3-(azepane-1-sulfonyl)-1-ethyl-N-[4-(methylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-1-ethyl-N-[4-(methylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-1-ethyl-N-[4-(methylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-8164 |
| Compound Name: | 3-(azepane-1-sulfonyl)-1-ethyl-N-[4-(methylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C19 H26 N4 O3 S2 |
| Smiles: | CCn1cc(C(Nc2ccc(cc2)SC)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2704 |
| logD: | 3.269 |
| logSw: | -3.6567 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.195 |
| InChI Key: | MXOQBLVLFWXFJJ-UHFFFAOYSA-N |