(2H-1,3-benzodioxol-5-yl)[4-(3-methyl-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[4-(3-methyl-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[4-(3-methyl-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | P664-1934 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(3-methyl-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | CCCc1cc(nc2nnc(C)n12)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4352 |
| logD: | 2.4351 |
| logSw: | -2.7252 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.311 |
| InChI Key: | IQRRUTUGTCZMKQ-UHFFFAOYSA-N |