4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-fluorophenyl)methyl]benzamide
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | M358-1237 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(2-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C26 H31 F N4 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(NCc2ccccc2F)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4774 |
| logD: | 3.4774 |
| logSw: | -3.7212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.976 |
| InChI Key: | UMAKJLSQUJJKCY-UHFFFAOYSA-N |