N-(3-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-(3-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-(3-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: | E635-0661 |
| Compound Name: | N-(3-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)c(c3)[Cl])=O)c(n3cccc3)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.759 |
| logD: | 3.8435 |
| logSw: | -5.93 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.309 |
| InChI Key: | YYFKJEWHNTWVTL-UHFFFAOYSA-N |