methyl 4-(6-acetyl-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate
Chemical Structure Depiction of
methyl 4-(6-acetyl-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate
methyl 4-(6-acetyl-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate
Compound characteristics
| Compound ID: | C202-1407 |
| Compound Name: | methyl 4-(6-acetyl-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoate |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C16 H16 N4 O3 |
| Smiles: | CC1=C(C(c2ccc(cc2)C(=O)OC)n2c(N1)ncn2)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9094 |
| logD: | 1.8412 |
| logSw: | -2.3645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.99 |
| InChI Key: | CHNSSRQLDXWSPL-AWEZNQCLSA-N |