methyl 2-[2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamido]benzoate
methyl 2-[2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | E228-1563 |
| Compound Name: | methyl 2-[2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 393.37 |
| Molecular Formula: | C21 H16 F N3 O4 |
| Smiles: | COC(c1ccccc1NC(CN1C(c2cccn2c2ccc(cc12)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1776 |
| logD: | 3.1609 |
| logSw: | -3.5408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.591 |
| InChI Key: | STEBAFOURUOZJN-UHFFFAOYSA-N |