(2H-1,3-benzodioxol-5-yl){4-[3-(4-fluorophenyl)-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-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | G866-0325 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 447.43 |
| Molecular Formula: | C22 H18 F N7 O3 |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)OCO2)=O)c1c2c(ncn1)n(c1ccc(cc1)F)nn2 |
| Stereo: | ACHIRAL |
| logP: | 2.5028 |
| logD: | 2.5028 |
| logSw: | -2.8331 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.197 |
| InChI Key: | IUIJJAPGGLZHRJ-UHFFFAOYSA-N |