N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-[2-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-[2-(trifluoromethyl)phenyl]urea
N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-[2-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | E002-0968 |
| Compound Name: | N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-[2-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C22 H22 F3 N3 O S |
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7577 |
| logD: | 5.7577 |
| logSw: | -5.3864 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.304 |
| InChI Key: | ZZJRDSABVVRKGF-AWEZNQCLSA-N |