methyl 4-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate
methyl 4-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | C561-1638 |
| Compound Name: | methyl 4-[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(Nc2ccc(cc2)C(=O)OC)=O)c(C)n2c(ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7908 |
| logD: | 1.7903 |
| logSw: | -2.1986 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.368 |
| InChI Key: | FCKNWSNCNLYEAA-UHFFFAOYSA-N |