3-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-ethyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-ethyl-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-ethyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-8146 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-ethyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C19 H24 N4 O5 S |
| Smiles: | CCn1cc(C(Nc2ccc3c(c2)OCO3)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3842 |
| logD: | 2.3714 |
| logSw: | -3.055 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.31 |
| InChI Key: | IATRDYANFDGCPC-UHFFFAOYSA-N |