ethyl N-[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]-beta-alaninate
ethyl N-[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | G797-0413 |
| Compound Name: | ethyl N-[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 488.38 |
| Molecular Formula: | C22 H26 Br N5 O3 |
| Smiles: | CCOC(CCNC(N1CCCN(CC1)c1c2cccn2c2ccc(cc2n1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0856 |
| logD: | 3.8391 |
| logSw: | -4.0087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.36 |
| InChI Key: | NZZDJFCLEHLJMK-UHFFFAOYSA-N |