4-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrrole-2-carboxamide
4-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | G636-2495 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Smiles: | Cn1cc(cc1C(Nc1ccc2c(c1)OCO2)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6368 |
| logD: | 2.6318 |
| logSw: | -3.1407 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.797 |
| InChI Key: | QXYFHFFENIRCIL-UHFFFAOYSA-N |