methyl N-[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]alaninate
Chemical Structure Depiction of
methyl N-[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]alaninate
methyl N-[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]alaninate
Compound characteristics
| Compound ID: | G797-0405 |
| Compound Name: | methyl N-[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]alaninate |
| Molecular Weight: | 474.36 |
| Molecular Formula: | C21 H24 Br N5 O3 |
| Smiles: | CC(C(=O)OC)NC(N1CCCN(CC1)c1c2cccn2c2ccc(cc2n1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0352 |
| logD: | 3.7887 |
| logSw: | -4.0496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.697 |
| InChI Key: | IGCCBUJJZDSHSL-AWEZNQCLSA-N |