methyl 2-({4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)benzoate
methyl 2-({4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | V007-6985 |
| Compound Name: | methyl 2-({4-[6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 517.54 |
| Molecular Formula: | C26 H27 N7 O5 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1NC(N1CCN(CC1)c1c(cnc2ncnn12)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9574 |
| logD: | 2.949 |
| logSw: | -3.3311 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.262 |
| InChI Key: | SHKMKZFGBIRPRO-UHFFFAOYSA-N |