methyl 4-{5-[4-(methoxycarbonyl)anilino]-7-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[4-(methoxycarbonyl)anilino]-7-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}benzoate
methyl 4-{5-[4-(methoxycarbonyl)anilino]-7-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}benzoate
Compound characteristics
| Compound ID: | C301-7694 |
| Compound Name: | methyl 4-{5-[4-(methoxycarbonyl)anilino]-7-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}benzoate |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C21 H18 N6 O4 |
| Smiles: | Cc1c2c(nc(Nc3ccc(cc3)C(=O)OC)n1)n(c1ccc(cc1)C(=O)OC)nn2 |
| Stereo: | ACHIRAL |
| logP: | 3.9006 |
| logD: | 3.9006 |
| logSw: | -4.2231 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.972 |
| InChI Key: | QKMCKHGFPHSEDV-UHFFFAOYSA-N |