ethyl 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | D298-0234 |
| Compound Name: | ethyl 3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C16 H19 N5 O3 S |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(NCc3cccs3)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2179 |
| logD: | 2.1746 |
| logSw: | -2.756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.069 |
| InChI Key: | VFQNKLWAQIWKNP-UHFFFAOYSA-N |