4-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
4-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | F379-1647 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Smiles: | Cc1c(c(C)[nH]c1C(NCc1ccc2c(c1)OCO2)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8689 |
| logD: | 2.8689 |
| logSw: | -3.3254 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.791 |
| InChI Key: | IBLMUWMQHPFWEO-UHFFFAOYSA-N |