3-(azepane-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-7269 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C18 H23 Cl N4 O3 S |
| Smiles: | Cn1cc(C(NCc2ccc(cc2)[Cl])=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.695 |
| logD: | 2.6944 |
| logSw: | -3.6579 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.824 |
| InChI Key: | SGMCPAOHJXJZNW-UHFFFAOYSA-N |