N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(3-methoxypropyl)thiourea
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(3-methoxypropyl)thiourea
N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(3-methoxypropyl)thiourea
Compound characteristics
| Compound ID: | Y501-5924 |
| Compound Name: | N-{1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(3-methoxypropyl)thiourea |
| Molecular Weight: | 374.29 |
| Molecular Formula: | C14 H17 Cl2 N5 O S |
| Smiles: | COCCCNC(Nc1ncn(Cc2ccc(cc2[Cl])[Cl])n1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.1654 |
| logD: | 3.1647 |
| logSw: | -3.4572 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.06 |
| InChI Key: | SAFAKEFNNWTNSO-UHFFFAOYSA-N |