4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(2-fluorophenyl)benzamide
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(2-fluorophenyl)benzamide
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(2-fluorophenyl)benzamide
Compound characteristics
| Compound ID: | M358-1152 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-(2-fluorophenyl)benzamide |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C25 H29 F N4 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(Nc2ccccc2F)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4155 |
| logD: | 3.409 |
| logSw: | -3.7386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.956 |
| InChI Key: | BEWCGQLAXWEAEE-UHFFFAOYSA-N |