ethyl 4-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D481-0112 |
| Compound Name: | ethyl 4-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C24 H31 N7 O4 |
| Smiles: | CCOC(N1CCN(CC1)C(CCC1=C(C)Nc2nc(NCc3ccc(C)cc3)nn2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0079 |
| logD: | 1.9647 |
| logSw: | -2.4332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.793 |
| InChI Key: | UVCAUTKFINESFN-UHFFFAOYSA-N |