N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(2-phenylethyl)thiourea
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(2-phenylethyl)thiourea
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(2-phenylethyl)thiourea
Compound characteristics
| Compound ID: | Y503-3895 |
| Compound Name: | N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(2-phenylethyl)thiourea |
| Molecular Weight: | 406.33 |
| Molecular Formula: | C18 H17 Cl2 N5 S |
| Smiles: | C(CNC(Nc1ncn(Cc2ccc(cc2[Cl])[Cl])n1)=S)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4066 |
| logD: | 4.4059 |
| logSw: | -4.5075 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.446 |
| InChI Key: | BVCYOIXZVDAADQ-UHFFFAOYSA-N |