(5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)(3,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
(5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)(3,4-dimethoxyphenyl)methanone
(5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)(3,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | 6855-0052 |
| Compound Name: | (5-{[(4-chlorophenyl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)(3,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C24 H21 Cl N4 O3 |
| Smiles: | COc1ccc(cc1OC)C(n1c(NCc2ccc(cc2)[Cl])nc(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5167 |
| logD: | 4.5167 |
| logSw: | -4.8223 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.488 |
| InChI Key: | SHMBFSHIVQSVIT-UHFFFAOYSA-N |