methyl 6-{4-[7-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate
Chemical Structure Depiction of
methyl 6-{4-[7-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate
methyl 6-{4-[7-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate
Compound characteristics
| Compound ID: | V016-5074 |
| Compound Name: | methyl 6-{4-[7-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}-6-oxohexanoate |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C23 H28 N6 O3 |
| Smiles: | Cc1cccc(c1)c1ccnc2nc(nn12)N1CCN(CC1)C(CCCCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3568 |
| logD: | 2.3549 |
| logSw: | -2.5101 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.372 |
| InChI Key: | BBQHKWQMVCBDRM-UHFFFAOYSA-N |