4-(azepane-1-carbonyl)-N-(2H-1,3-benzodioxol-5-yl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-N-(2H-1,3-benzodioxol-5-yl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
4-(azepane-1-carbonyl)-N-(2H-1,3-benzodioxol-5-yl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Compound characteristics
| Compound ID: | G243-1753 |
| Compound Name: | 4-(azepane-1-carbonyl)-N-(2H-1,3-benzodioxol-5-yl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)c(c(C)n1C)S(Nc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6746 |
| logD: | 2.3925 |
| logSw: | -3.1999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.762 |
| InChI Key: | JDJYLCXFDAWASI-UHFFFAOYSA-N |