N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]-2-methylpropanamide
Chemical Structure Depiction of
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]-2-methylpropanamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]-2-methylpropanamide
Compound characteristics
| Compound ID: | D614-0401 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]-2-methylpropanamide |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C21 H26 Cl N5 O2 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(C(C)C)=O)C([H])([H])c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2055 |
| logD: | 5.1583 |
| logSw: | -5.4699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.073 |
| InChI Key: | VCGAPPASMIKZGP-UHFFFAOYSA-N |