N-(4-bromo-2-fluorophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(4-bromo-2-fluorophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1468 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
| Molecular Weight: | 448.36 |
| Molecular Formula: | C20 H19 Br F N3 O S |
| Smiles: | C1CCc2c(C1)c(CNC(Nc1ccc(cc1F)[Br])=O)c(n1cccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.8179 |
| logD: | 5.8171 |
| logSw: | -5.7989 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.141 |
| InChI Key: | NNRMXDCCDGEXGZ-UHFFFAOYSA-N |