4-(azepane-1-sulfonyl)-N-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-N-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
4-(azepane-1-sulfonyl)-N-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | F379-1700 |
| Compound Name: | 4-(azepane-1-sulfonyl)-N-(4-cyanophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | Cc1c(c(C)[nH]c1C(Nc1ccc(C#N)cc1)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9348 |
| logD: | 2.9075 |
| logSw: | -3.4566 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.409 |
| InChI Key: | DTYHXMSMVPAVHK-UHFFFAOYSA-N |