4-(azepane-1-sulfonyl)-N-(3-bromophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-(3-bromophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
4-(azepane-1-sulfonyl)-N-(3-bromophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | F379-1805 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-(3-bromophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 454.38 |
| Molecular Formula: | C19 H24 Br N3 O3 S |
| Smiles: | Cc1c(c(C)[nH]c1C(Nc1cccc(c1)[Br])=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0885 |
| logD: | 4.0763 |
| logSw: | -4.0741 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.353 |
| InChI Key: | QRIBVLYWNKHGMN-UHFFFAOYSA-N |