N-(2-chloro-4-methylphenyl)-N'-{[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-N'-{[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea
N-(2-chloro-4-methylphenyl)-N'-{[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E635-0666 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-N'-{[6-ethyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}urea |
| Molecular Weight: | 428.98 |
| Molecular Formula: | C22 H25 Cl N4 O S |
| Smiles: | CCN1CCc2c(CNC(Nc3ccc(C)cc3[Cl])=O)c(n3cccc3)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.0936 |
| logD: | 3.1781 |
| logSw: | -5.397 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.611 |
| InChI Key: | XBPKSKURMSQXBO-UHFFFAOYSA-N |