2,4-dimethoxy-N-{[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}benzamide
Chemical Structure Depiction of
2,4-dimethoxy-N-{[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}benzamide
2,4-dimethoxy-N-{[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}benzamide
Compound characteristics
| Compound ID: | K415-0366 |
| Compound Name: | 2,4-dimethoxy-N-{[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}benzamide |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C24 H21 N5 O3 S |
| Smiles: | COc1ccc(C(NC(Nc2ccc(cc2)n2c(cnn2)c2ccccc2)=S)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6914 |
| logD: | 4.6855 |
| logSw: | -4.4236 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.398 |
| InChI Key: | AVUQWSWOEPKPRJ-UHFFFAOYSA-N |