N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide
Chemical Structure Depiction of
N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide
N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V002-0447 |
| Compound Name: | N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxamide |
| Molecular Weight: | 531.57 |
| Molecular Formula: | C27 H29 N7 O5 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1cnc2ncnn2c1N1CCN(CC1)C(NCCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6961 |
| logD: | 2.6885 |
| logSw: | -3.0843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.065 |
| InChI Key: | VLKMJAMXBPCKBK-UHFFFAOYSA-N |