methyl 4-{2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M460-4017 |
| Compound Name: | methyl 4-{2-[3-oxo-8-(4-phenylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 487.52 |
| Molecular Formula: | C25 H25 N7 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C=CN=C(C2=N1)N1CCN(CC1)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3803 |
| logD: | 2.3803 |
| logSw: | -2.7983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.643 |
| InChI Key: | PPEYTUGRRSSBKP-UHFFFAOYSA-N |