(2H-1,3-benzodioxol-5-yl){4-[3-(4-methoxyphenyl)-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-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | G866-0716 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[3-(4-methoxyphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C23 H21 N7 O4 |
| Smiles: | COc1ccc(cc1)n1c2c(c(ncn2)N2CCN(CC2)C(c2ccc3c(c2)OCO3)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4561 |
| logD: | 2.4561 |
| logSw: | -2.8735 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 91.741 |
| InChI Key: | SKJQPLAHBGNLPT-UHFFFAOYSA-N |