3-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
3-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-pyrazole-4-carboxamide
Compound characteristics
| Compound ID: | M461-7261 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-1H-pyrazole-4-carboxamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C19 H24 N4 O5 S |
| Smiles: | Cn1cc(C(NCc2ccc3c(c2)OCO3)=O)c(n1)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0133 |
| logD: | 2.0133 |
| logSw: | -2.8583 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.94 |
| InChI Key: | MZMRROHIMBDWDQ-UHFFFAOYSA-N |