(2H-1,3-benzodioxol-5-yl)[4-(3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[4-(3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[4-(3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | G866-0043 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 429.44 |
| Molecular Formula: | C22 H19 N7 O3 |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)OCO2)=O)c1c2c(ncn1)n(c1ccccc1)nn2 |
| Stereo: | ACHIRAL |
| logP: | 2.3522 |
| logD: | 2.3521 |
| logSw: | -2.8382 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.197 |
| InChI Key: | DPNMGQYNUXLTGS-UHFFFAOYSA-N |