N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(naphthalen-1-yl)thiourea
Chemical Structure Depiction of
N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(naphthalen-1-yl)thiourea
N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(naphthalen-1-yl)thiourea
Compound characteristics
| Compound ID: | Y509-5722 |
| Compound Name: | N-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-N'-(naphthalen-1-yl)thiourea |
| Molecular Weight: | 373.48 |
| Molecular Formula: | C21 H19 N5 S |
| Smiles: | Cc1cccc(Cn2cnc(NC(Nc3cccc4ccccc34)=S)n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9925 |
| logD: | 4.9923 |
| logSw: | -5.4876 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.313 |
| InChI Key: | GETOBJYMFAECMP-UHFFFAOYSA-N |