methyl 2-[4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 2-[4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamido]benzoate
methyl 2-[4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | E228-2994 |
| Compound Name: | methyl 2-[4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamido]benzoate |
| Molecular Weight: | 482.33 |
| Molecular Formula: | C23 H20 Br N3 O4 |
| Smiles: | COC(c1ccccc1NC(CCCN1C(c2cccn2c2ccc(cc12)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7245 |
| logD: | 3.6989 |
| logSw: | -3.9327 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.569 |
| InChI Key: | FHMLXZCIGMPHSN-UHFFFAOYSA-N |