N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-chloro-2-methoxyphenyl)-N-(2-phenylethyl)thiourea
Chemical Structure Depiction of
N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-chloro-2-methoxyphenyl)-N-(2-phenylethyl)thiourea
N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-chloro-2-methoxyphenyl)-N-(2-phenylethyl)thiourea
Compound characteristics
| Compound ID: | K788-3697 |
| Compound Name: | N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(4-chloro-2-methoxyphenyl)-N-(2-phenylethyl)thiourea |
| Molecular Weight: | 542.5 |
| Molecular Formula: | C28 H26 Cl2 F N3 O S |
| Smiles: | COc1cc(ccc1NC(N(CCc1ccccc1)Cc1cccn1Cc1ccc(cc1[Cl])F)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.098 |
| logD: | 8.098 |
| logSw: | -6.5659 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.4093 |
| InChI Key: | VBSCSIWZXSXYGX-UHFFFAOYSA-N |