N-(3,4-dimethoxyphenyl)-2-[3-oxo-7-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[3-oxo-7-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
N-(3,4-dimethoxyphenyl)-2-[3-oxo-7-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P573-7120 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[3-oxo-7-(thiomorpholin-4-yl)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C19 H22 N6 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(CN1C(N2C=CC(=NC2=N1)N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8589 |
| logD: | 0.8589 |
| logSw: | -2.4157 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.466 |
| InChI Key: | QNVXIKWBFUSVPF-UHFFFAOYSA-N |