4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(3-ethylphenyl)benzamide
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(3-ethylphenyl)benzamide
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(3-ethylphenyl)benzamide
Compound characteristics
| Compound ID: | M358-1205 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(3-ethylphenyl)benzamide |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | CCc1cccc(c1)NC(c1ccc(Cn2c(C)c(c(C)n2)S(N2CCCCCC2)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2276 |
| logD: | 4.2275 |
| logSw: | -4.1387 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.653 |
| InChI Key: | HKJPWROAPWYFHH-UHFFFAOYSA-N |