4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(4-methoxyphenyl)benzamide
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(4-methoxyphenyl)benzamide
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(4-methoxyphenyl)benzamide
Compound characteristics
| Compound ID: | M358-1130 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(4-methoxyphenyl)benzamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C26 H32 N4 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(Nc2ccc(cc2)OC)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4195 |
| logD: | 3.4193 |
| logSw: | -3.7452 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.197 |
| InChI Key: | BQAFTQSFRKJYMN-UHFFFAOYSA-N |