methyl 4-{4-[6-(3-ethoxy-3-oxopropyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate
Chemical Structure Depiction of
methyl 4-{4-[6-(3-ethoxy-3-oxopropyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate
methyl 4-{4-[6-(3-ethoxy-3-oxopropyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate
Compound characteristics
| Compound ID: | V002-1531 |
| Compound Name: | methyl 4-{4-[6-(3-ethoxy-3-oxopropyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carbonyl}benzoate |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C24 H28 N6 O5 |
| Salt: | not_available |
| Smiles: | CCOC(CCc1c(C)nc2ncnn2c1N1CCN(CC1)C(c1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3617 |
| logD: | 2.3323 |
| logSw: | -2.3223 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 92.364 |
| InChI Key: | YSQRCLJQUPEGCF-UHFFFAOYSA-N |