N-butyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-butyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-butyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D481-0053 |
| Compound Name: | N-butyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 416.91 |
| Molecular Formula: | C20 H25 Cl N6 O2 |
| Smiles: | CCCCNC(CCC1=C(C)Nc2nc(NCc3ccc(cc3)[Cl])nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7024 |
| logD: | 2.6592 |
| logSw: | -3.4998 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.205 |
| InChI Key: | GPIKEASYQALFLZ-UHFFFAOYSA-N |