dimethyl 5-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzene-1,3-dicarboxylate
dimethyl 5-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C561-1782 |
| Compound Name: | dimethyl 5-{3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 547.57 |
| Molecular Formula: | C28 H29 N5 O7 |
| Smiles: | Cc1c(CCC(Nc2cc(cc(c2)C(=O)OC)C(=O)OC)=O)c(C)n2c(n1)nc(c1cc(cc(c1)OC)OC)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.212 |
| logD: | 4.0808 |
| logSw: | -4.3301 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.418 |
| InChI Key: | YWXVRFXLCHAPAA-UHFFFAOYSA-N |