methyl [5-methyl-7-oxo-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate
Chemical Structure Depiction of
methyl [5-methyl-7-oxo-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate
methyl [5-methyl-7-oxo-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate
Compound characteristics
| Compound ID: | D475-1642 |
| Compound Name: | methyl [5-methyl-7-oxo-2-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]acetate |
| Molecular Weight: | 304.32 |
| Molecular Formula: | C13 H12 N4 O3 S |
| Smiles: | CC1=CC(n2c(nc(c3cccs3)n2)N1CC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5712 |
| logD: | 1.5712 |
| logSw: | -2.2602 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.214 |
| InChI Key: | FSCWLIUTWQRWPW-UHFFFAOYSA-N |