3-(azepane-1-sulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-7272 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-[(3-chloro-4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 428.91 |
| Molecular Formula: | C18 H22 Cl F N4 O3 S |
| Smiles: | Cn1cc(C(NCc2ccc(c(c2)[Cl])F)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7151 |
| logD: | 2.7146 |
| logSw: | -3.6344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.824 |
| InChI Key: | AEONEZUUNMOQSJ-UHFFFAOYSA-N |