4-(azepane-1-sulfonyl)-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
4-(azepane-1-sulfonyl)-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | F379-1706 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C22 H31 N3 O3 S |
| Smiles: | CCc1cccc(C)c1NC(c1c(C)c(c(C)[nH]1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8117 |
| logD: | 3.8116 |
| logSw: | -3.7117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.957 |
| InChI Key: | XHJMZGWMYWZTEU-UHFFFAOYSA-N |