N-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}-N'-[3-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}-N'-[3-(trifluoromethyl)phenyl]urea
N-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}-N'-[3-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | E002-1431 |
| Compound Name: | N-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}-N'-[3-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 419.47 |
| Molecular Formula: | C21 H20 F3 N3 O S |
| Smiles: | C1CCc2c(C1)c(CNC(Nc1cccc(c1)C(F)(F)F)=O)c(n1cccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.1797 |
| logD: | 6.1797 |
| logSw: | -6.0969 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.839 |
| InChI Key: | LOFDEUFWCGFDOR-UHFFFAOYSA-N |