N-(3-chloro-4-fluorophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(3-chloro-4-fluorophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1458 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
| Molecular Weight: | 403.9 |
| Molecular Formula: | C20 H19 Cl F N3 O S |
| Smiles: | C1CCc2c(C1)c(CNC(Nc1ccc(c(c1)[Cl])F)=O)c(n1cccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.8666 |
| logD: | 5.8658 |
| logSw: | -6.0969 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.839 |
| InChI Key: | LTJZPZYSLCAGPL-UHFFFAOYSA-N |