4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(4-fluoro-2-methylphenyl)benzamide
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(4-fluoro-2-methylphenyl)benzamide
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(4-fluoro-2-methylphenyl)benzamide
Compound characteristics
| Compound ID: | M358-1225 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(4-fluoro-2-methylphenyl)benzamide |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C26 H31 F N4 O3 S |
| Smiles: | Cc1cc(ccc1NC(c1ccc(Cn2c(C)c(c(C)n2)S(N2CCCCCC2)(=O)=O)cc1)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.6543 |
| logD: | 3.6452 |
| logSw: | -3.8695 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.956 |
| InChI Key: | XYCXFEDPDPJKLD-UHFFFAOYSA-N |