4-(azepane-1-sulfonyl)-N-{[4-(dimethylamino)phenyl]methyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-{[4-(dimethylamino)phenyl]methyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxamide
4-(azepane-1-sulfonyl)-N-{[4-(dimethylamino)phenyl]methyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | F379-4452 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-{[4-(dimethylamino)phenyl]methyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 446.61 |
| Molecular Formula: | C23 H34 N4 O3 S |
| Smiles: | Cc1c(c(C)n(C)c1C(NCc1ccc(cc1)N(C)C)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8703 |
| logD: | 2.8549 |
| logSw: | -3.3591 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.307 |
| InChI Key: | XOHPFNXQARUSBL-UHFFFAOYSA-N |