N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]-N'-[3-(trifluoromethyl)phenyl]thiourea
Compound characteristics
| Compound ID: | K788-6442 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-[3-(pyrrolidin-1-yl)propyl]-N'-[3-(trifluoromethyl)phenyl]thiourea |
| Molecular Weight: | 535.07 |
| Molecular Formula: | C27 H30 Cl F3 N4 S |
| Smiles: | C1CCN(C1)CCCN(Cc1cccn1Cc1ccc(cc1)[Cl])C(Nc1cccc(c1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 6.8038 |
| logD: | 4.307 |
| logSw: | -7.0073 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.8252 |
| InChI Key: | AMJQCSLHSRWVTB-UHFFFAOYSA-N |