4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-methylphenyl)methyl]benzamide
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-methylphenyl)methyl]benzamide
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-methylphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | M358-1289 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-methylphenyl)methyl]benzamide |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | Cc1ccccc1CNC(c1ccc(Cn2c(C)c(c(C)n2)S(N2CCCCCC2)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.991 |
| logD: | 3.9908 |
| logSw: | -3.9694 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.976 |
| InChI Key: | SBTHRBOBDBCDGE-UHFFFAOYSA-N |