3-(azepane-1-sulfonyl)-1-methyl-N-[4-(methylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-1-methyl-N-[4-(methylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-1-methyl-N-[4-(methylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-8131 |
| Compound Name: | 3-(azepane-1-sulfonyl)-1-methyl-N-[4-(methylsulfanyl)phenyl]-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C18 H24 N4 O3 S2 |
| Smiles: | Cn1cc(C(Nc2ccc(cc2)SC)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8559 |
| logD: | 2.8544 |
| logSw: | -3.6214 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.502 |
| InChI Key: | QQKFEMRDPXNPQP-UHFFFAOYSA-N |