N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,4-dimethoxyphenyl)thiourea
Chemical Structure Depiction of
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,4-dimethoxyphenyl)thiourea
N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,4-dimethoxyphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3400 |
| Compound Name: | N-benzyl-N-({1-[(2-chloro-4-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,4-dimethoxyphenyl)thiourea |
| Molecular Weight: | 524.06 |
| Molecular Formula: | C28 H27 Cl F N3 O2 S |
| Smiles: | COc1ccc(cc1OC)NC(N(Cc1ccccc1)Cc1cccn1Cc1ccc(cc1[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 6.3495 |
| logD: | 6.3495 |
| logSw: | -6.2073 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.7591 |
| InChI Key: | UIXCOWLQGSUJNH-UHFFFAOYSA-N |