{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(6-chloro-4H-1-benzopyran-3-yl)methanone
Chemical Structure Depiction of
{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(6-chloro-4H-1-benzopyran-3-yl)methanone
{4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(6-chloro-4H-1-benzopyran-3-yl)methanone
Compound characteristics
| Compound ID: | V002-5285 |
| Compound Name: | {4-[7-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}(6-chloro-4H-1-benzopyran-3-yl)methanone |
| Molecular Weight: | 516.94 |
| Molecular Formula: | C26 H21 Cl N6 O4 |
| Salt: | not_available |
| Smiles: | C1C(=COc2ccc(cc12)[Cl])C(N1CCN(CC1)c1nc2nccc(c3ccc4c(c3)OCO4)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.058 |
| logD: | 4.0538 |
| logSw: | -4.4613 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.911 |
| InChI Key: | LSRUYHVLSYQFOR-UHFFFAOYSA-N |