4-tert-butyl-N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
4-tert-butyl-N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | D433-0982 |
| Compound Name: | 4-tert-butyl-N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1ccc(cc1)C(C)(C)C)=O)c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7898 |
| logD: | 2.1372 |
| logSw: | -4.8338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.347 |
| InChI Key: | NPJNHDGSNGCKCP-UHFFFAOYSA-N |