2-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-7-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-7-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine
2-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-7-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | Y042-2501 |
| Compound Name: | 2-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-7-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C22 H21 N5 O |
| Smiles: | CC1(C)CCc2cc(Cc3nc4nccc(c5cccnc5)n4n3)ccc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.3525 |
| logD: | 3.3522 |
| logSw: | -3.24 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.783 |
| InChI Key: | BACRHFVNLQPKIZ-UHFFFAOYSA-N |