N-benzyl-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
N-benzyl-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
Compound characteristics
Compound ID: | K788-3707 |
Compound Name: | N-benzyl-N-({1-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea |
Molecular Weight: | 492.1 |
Molecular Formula: | C27 H26 Cl N3 S2 |
Smiles: | CSc1cccc(c1)NC(N(Cc1ccccc1)Cc1cccn1Cc1ccccc1[Cl])=S |
Stereo: | ACHIRAL |
logP: | 7.0346 |
logD: | 7.0346 |
logSw: | -6.5999 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 12.4983 |
InChI Key: | KOHRLENVTGIWJI-UHFFFAOYSA-N |