4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[3-(methylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[3-(methylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[3-(methylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | G797-0403 |
| Compound Name: | 4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[3-(methylsulfanyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 510.45 |
| Molecular Formula: | C24 H24 Br N5 O S |
| Smiles: | CSc1cccc(c1)NC(N1CCCN(CC1)c1c2cccn2c2ccc(cc2n1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8042 |
| logD: | 5.7215 |
| logSw: | -5.4131 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.766 |
| InChI Key: | XVGHYLZEILKIRX-UHFFFAOYSA-N |