methyl 4-[2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
Chemical Structure Depiction of
methyl 4-[2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
methyl 4-[2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate
Compound characteristics
| Compound ID: | K832-3712 |
| Compound Name: | methyl 4-[2-chloro-7-(4-methylphenyl)-7,12-dihydro-6H-[1]benzopyrano[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate |
| Molecular Weight: | 484.94 |
| Molecular Formula: | C27 H21 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1)C1C2C(c3ccc(cc3)C(=O)OC)Oc3ccc(cc3C=2Nc2ncnn12)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0848 |
| logD: | 6.0839 |
| logSw: | -6.1749 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.781 |
| InChI Key: | CWDIAJGVSMONCE-UHFFFAOYSA-N |