4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrrole-3-sulfonamide
Chemical Structure Depiction of
4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrrole-3-sulfonamide
4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrrole-3-sulfonamide
Compound characteristics
| Compound ID: | G243-1743 |
| Compound Name: | 4-(azepane-1-carbonyl)-1,2,5-trimethyl-N-[3-(methylsulfanyl)phenyl]-1H-pyrrole-3-sulfonamide |
| Molecular Weight: | 435.61 |
| Molecular Formula: | C21 H29 N3 O3 S2 |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)c(c(C)n1C)S(Nc1cccc(c1)SC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3024 |
| logD: | 3.2732 |
| logSw: | -3.8748 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.646 |
| InChI Key: | TXLUFZPQMPRVMG-UHFFFAOYSA-N |