4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-propylbenzamide
Chemical Structure Depiction of
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-propylbenzamide
4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-propylbenzamide
Compound characteristics
| Compound ID: | M358-1177 |
| Compound Name: | 4-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl]methyl}-N-propylbenzamide |
| Molecular Weight: | 432.58 |
| Molecular Formula: | C22 H32 N4 O3 S |
| Smiles: | CCCNC(c1ccc(Cn2c(C)c(c(C)n2)S(N2CCCCCC2)(=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3288 |
| logD: | 2.3288 |
| logSw: | -2.8087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.089 |
| InChI Key: | SHDUBMNSMYPLIG-UHFFFAOYSA-N |