N-[3-(azepan-1-yl)propyl]-4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
N-[3-(azepan-1-yl)propyl]-4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Compound characteristics
| Compound ID: | E228-3079 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide |
| Molecular Weight: | 487.44 |
| Molecular Formula: | C24 H31 Br N4 O2 |
| Smiles: | C1CCCN(CC1)CCCNC(CCCN1C(c2cccn2c2ccc(cc12)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3397 |
| logD: | 0.7111 |
| logSw: | -3.5608 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.57 |
| InChI Key: | NIKYXNJMMRIWTN-UHFFFAOYSA-N |