2-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}benzamide
Chemical Structure Depiction of
2-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}benzamide
2-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | D614-0066 |
| Compound Name: | 2-chloro-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-{[4-(propan-2-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | [H]C([H])(c1ccc(cc1)C(C)C)N(C(c1ccccc1[Cl])=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2733 |
| logD: | 4.8929 |
| logSw: | -5.6143 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.801 |
| InChI Key: | MLEPCABMPZSMQY-UHFFFAOYSA-N |