4-(azepane-1-sulfonyl)-N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrrole-2-carboxamide
4-(azepane-1-sulfonyl)-N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | G636-2518 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-(3-chloro-4-fluorophenyl)-1-methyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C18 H21 Cl F N3 O3 S |
| Smiles: | Cn1cc(cc1C(Nc1ccc(c(c1)[Cl])F)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5338 |
| logD: | 2.9655 |
| logSw: | -3.9053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.681 |
| InChI Key: | YTVYQGUKIZWQDE-UHFFFAOYSA-N |