4-(azepane-1-carbonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
4-(azepane-1-carbonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
Compound characteristics
| Compound ID: | G243-1690 |
| Compound Name: | 4-(azepane-1-carbonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)c(c(C)n1C)S(NCc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5022 |
| logD: | 2.501 |
| logSw: | -2.9897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.871 |
| InChI Key: | SSPAIHOQPJLOQX-UHFFFAOYSA-N |