N'-(3-chloro-4-methylphenyl)-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-methylphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
N'-(3-chloro-4-methylphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
Compound characteristics
| Compound ID: | K788-6440 |
| Compound Name: | N'-(3-chloro-4-methylphenyl)-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea |
| Molecular Weight: | 515.55 |
| Molecular Formula: | C27 H32 Cl2 N4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(N(CCCN1CCCC1)Cc1cccn1Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 7.1507 |
| logD: | 4.654 |
| logSw: | -6.6324 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.8252 |
| InChI Key: | UPXSQTKCJWIRJW-UHFFFAOYSA-N |