N'-(3-chloro-4-methoxyphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
Chemical Structure Depiction of
N'-(3-chloro-4-methoxyphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
N'-(3-chloro-4-methoxyphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
Compound characteristics
Compound ID: | K788-6326 |
Compound Name: | N'-(3-chloro-4-methoxyphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea |
Molecular Weight: | 531.55 |
Molecular Formula: | C27 H32 Cl2 N4 O S |
Smiles: | COc1ccc(cc1[Cl])NC(N(CCCN1CCCC1)Cc1cccn1Cc1ccc(cc1)[Cl])=S |
Stereo: | ACHIRAL |
logP: | 6.2711 |
logD: | 3.7744 |
logSw: | -6.1966 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 24.4556 |
InChI Key: | PEUNWKYKBOFBPY-UHFFFAOYSA-N |