4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(cyclohexylmethyl)benzamide
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(cyclohexylmethyl)benzamide
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(cyclohexylmethyl)benzamide
Compound characteristics
| Compound ID: | M358-1261 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(cyclohexylmethyl)benzamide |
| Molecular Weight: | 486.68 |
| Molecular Formula: | C26 H38 N4 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(NCC2CCCCC2)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7881 |
| logD: | 3.7881 |
| logSw: | -3.9197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.168 |
| InChI Key: | BBYKPSSYXKVPLY-UHFFFAOYSA-N |