N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide
N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | D433-0986 |
| Compound Name: | N-(4-chlorophenyl)-3-methyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide |
| Molecular Weight: | 373.84 |
| Molecular Formula: | C18 H20 Cl N5 O2 |
| Smiles: | CC(C)CC(N(Cc1nc2NC(C)=CC(n2n1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9013 |
| logD: | 0.2486 |
| logSw: | -3.503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.091 |
| InChI Key: | PNFZKNANNXTORC-UHFFFAOYSA-N |