N-(4-chlorophenyl)-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)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide
N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | D433-0953 |
| Compound Name: | N-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]butanamide |
| Molecular Weight: | 359.81 |
| Molecular Formula: | C17 H18 Cl N5 O2 |
| Smiles: | CCCC(N(Cc1nc2NC(C)=CC(n2n1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8353 |
| logD: | 0.1826 |
| logSw: | -3.4826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.091 |
| InChI Key: | LNFJCGWZAUDUED-UHFFFAOYSA-N |