N-benzyl-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)thiourea
N-benzyl-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)thiourea
Compound characteristics
| Compound ID: | K788-5641 |
| Compound Name: | N-benzyl-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)thiourea |
| Molecular Weight: | 481.99 |
| Molecular Formula: | C26 H22 Cl F2 N3 S |
| Smiles: | C(c1ccccc1)N(Cc1cccn1Cc1ccc(cc1)[Cl])C(Nc1cc(cc(c1)F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 6.9823 |
| logD: | 6.9823 |
| logSw: | -6.8036 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.4983 |
| InChI Key: | SIBZMECFKLMMLE-UHFFFAOYSA-N |