4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | M358-1127 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C25 H31 N5 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(NCc2ccccn2)=O)n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1932 |
| logD: | 2.1931 |
| logSw: | -2.5756 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.519 |
| InChI Key: | XBLCLZYAIPWSBS-UHFFFAOYSA-N |