N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
Compound characteristics
| Compound ID: | C561-1822 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C26 H27 N5 O5 |
| Smiles: | Cc1c(CCC(NCc2ccc3c(c2)OCO3)=O)c(C)n2c(n1)nc(c1cc(cc(c1)OC)OC)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.3364 |
| logD: | 3.2053 |
| logSw: | -3.5908 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.507 |
| InChI Key: | MECFQLVJPWRFLY-UHFFFAOYSA-N |