4-(azepane-1-sulfonyl)-1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
4-(azepane-1-sulfonyl)-1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide
4-(azepane-1-sulfonyl)-1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | G636-2485 |
| Compound Name: | 4-(azepane-1-sulfonyl)-1-methyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 407.55 |
| Molecular Formula: | C19 H25 N3 O3 S2 |
| Smiles: | Cn1cc(cc1C(Nc1cccc(c1)SC)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2646 |
| logD: | 3.2642 |
| logSw: | -3.5238 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.681 |
| InChI Key: | YIOSSCVXRKBWMG-UHFFFAOYSA-N |