methyl 5-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate
Chemical Structure Depiction of
methyl 5-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate
methyl 5-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate
Compound characteristics
| Compound ID: | V013-5252 |
| Compound Name: | methyl 5-{4-[7-(4-tert-butylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-5-oxopentanoate |
| Molecular Weight: | 464.57 |
| Molecular Formula: | C25 H32 N6 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)c1ccnc2nc(nn12)N1CCN(CC1)C(CCCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6613 |
| logD: | 3.6594 |
| logSw: | -3.7751 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.372 |
| InChI Key: | MURBKOXEHMELTH-UHFFFAOYSA-N |