3-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-8101 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C18 H22 N4 O5 S |
| Smiles: | Cn1cc(C(Nc2ccc3c(c2)OCO3)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9697 |
| logD: | 1.9569 |
| logSw: | -2.9038 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.618 |
| InChI Key: | ZLJOLTPAABCBIT-UHFFFAOYSA-N |