ethyl 4-[3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-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-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D481-0164 |
| Compound Name: | ethyl 4-[3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C21 H27 N7 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCC1=C(C)Nc2nc(NCc3cccs3)nn2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5596 |
| logD: | 1.5164 |
| logSw: | -2.4624 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.811 |
| InChI Key: | VXFONQJJOQLURE-UHFFFAOYSA-N |