2-(6-benzyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
2-(6-benzyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-(6-benzyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | D205-0351 |
| Compound Name: | 2-(6-benzyl-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 429.39 |
| Molecular Formula: | C22 H15 N5 O5 |
| Smiles: | Cc1c(Cc2ccccc2)c(n2c(n1)nc(n2)N1C(c2ccc(cc2C1=O)C(O)=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.9106 |
| logD: | -1.0669 |
| logSw: | -3.2968 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.513 |
| InChI Key: | DZMOYTYKGWFUGW-UHFFFAOYSA-N |