N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea
Compound characteristics
| Compound ID: | K788-3401 |
| Compound Name: | N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-[3-(methylsulfanyl)phenyl]thiourea |
| Molecular Weight: | 510.09 |
| Molecular Formula: | C27 H25 Cl F N3 S2 |
| Smiles: | CSc1cccc(c1)NC(N(Cc1ccccc1)Cc1cccn1Cc1ccc(cc1[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 7.2755 |
| logD: | 7.2755 |
| logSw: | -6.6207 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4983 |
| InChI Key: | QNXHBFAPGWWXME-UHFFFAOYSA-N |