N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]-N-[3-(pyrrolidin-1-yl)propyl]thiourea
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]-N-[3-(pyrrolidin-1-yl)propyl]thiourea
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]-N-[3-(pyrrolidin-1-yl)propyl]thiourea
Compound characteristics
| Compound ID: | K788-6434 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]-N-[3-(pyrrolidin-1-yl)propyl]thiourea |
| Molecular Weight: | 513.17 |
| Molecular Formula: | C27 H33 Cl N4 S2 |
| Smiles: | CSc1cccc(c1)NC(N(CCCN1CCCC1)Cc1cccn1Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.2214 |
| logD: | 3.7247 |
| logSw: | -6.3265 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.8252 |
| InChI Key: | BMCGWOGJNBHUIB-UHFFFAOYSA-N |