N-[(5-bromo-2-methoxyphenyl)methyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Compound characteristics
| Compound ID: | E228-2856 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide |
| Molecular Weight: | 486.34 |
| Molecular Formula: | C23 H21 Br F N3 O3 |
| Smiles: | COc1ccc(cc1CNC(CCCN1C(c2cccn2c2ccc(cc12)F)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.87 |
| logD: | 3.87 |
| logSw: | -3.9679 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.046 |
| InChI Key: | YGWPQBUUZPAKQU-UHFFFAOYSA-N |