N-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}-N'-[2-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}-N'-[2-(trifluoromethyl)phenyl]urea
N-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}-N'-[2-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | E635-0040 |
| Compound Name: | N-{[6-methyl-2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl}-N'-[2-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 434.48 |
| Molecular Formula: | C21 H21 F3 N4 O S |
| Smiles: | CN1CCc2c(CNC(Nc3ccccc3C(F)(F)F)=O)c(n3cccc3)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.3028 |
| logD: | 2.539 |
| logSw: | -4.2912 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.551 |
| InChI Key: | OVPWMQPXPWIJDD-UHFFFAOYSA-N |