[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl](4-tert-butylphenyl)methanone
Chemical Structure Depiction of
[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl](4-tert-butylphenyl)methanone
[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl](4-tert-butylphenyl)methanone
Compound characteristics
| Compound ID: | D481-2002 |
| Compound Name: | [5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl](4-tert-butylphenyl)methanone |
| Molecular Weight: | 354.84 |
| Molecular Formula: | C19 H19 Cl N4 O |
| Smiles: | CC(C)(C)c1ccc(cc1)C(n1c(N)nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9967 |
| logD: | 4.9967 |
| logSw: | -5.2088 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.847 |
| InChI Key: | VPWYWEOFCXKYGR-UHFFFAOYSA-N |