methyl 2-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate
methyl 2-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | C561-1637 |
| Compound Name: | methyl 2-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C18 H19 N5 O3 |
| Smiles: | Cc1c(CCC(Nc2ccccc2C(=O)OC)=O)c(C)n2c(ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.4246 |
| logD: | 1.3894 |
| logSw: | -2.228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.671 |
| InChI Key: | GREUPGBFAYSVDL-UHFFFAOYSA-N |