2-{2-[2-(1H-indol-3-yl)ethyl]-1,4-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazin-9-yl}-1,4-phenylene diacetate
Chemical Structure Depiction of
2-{2-[2-(1H-indol-3-yl)ethyl]-1,4-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazin-9-yl}-1,4-phenylene diacetate
2-{2-[2-(1H-indol-3-yl)ethyl]-1,4-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazin-9-yl}-1,4-phenylene diacetate
Compound characteristics
| Compound ID: | 5605-0003 |
| Compound Name: | 2-{2-[2-(1H-indol-3-yl)ethyl]-1,4-dioxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrazin-9-yl}-1,4-phenylene diacetate |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C28 H27 N3 O6 |
| Smiles: | CC(=O)Oc1ccc(c(c1)C1CCCN2C=1C(N(CCc1c[nH]c3ccccc13)CC2=O)=O)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3333 |
| logD: | 2.3331 |
| logSw: | -3.1073 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.35 |
| InChI Key: | GVWLOCVNJNKCQK-UHFFFAOYSA-N |