N-(3-bromophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-(3-bromophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(3-bromophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
Compound ID: | E002-1466 |
Compound Name: | N-(3-bromophenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
Molecular Weight: | 430.36 |
Molecular Formula: | C20 H20 Br N3 O S |
Smiles: | C1CCc2c(C1)c(CNC(Nc1cccc(c1)[Br])=O)c(n1cccc1)s2 |
Stereo: | ACHIRAL |
logP: | 5.9445 |
logD: | 5.9445 |
logSw: | -5.8708 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 38.839 |
InChI Key: | UVRSDFAXDYGNMZ-UHFFFAOYSA-N |