4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | G797-0391 |
| Compound Name: | 4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 492.42 |
| Molecular Formula: | C25 H26 Br N5 O |
| Smiles: | Cc1ccc(CNC(N2CCCN(CC2)c2c3cccn3c3ccc(cc3n2)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3942 |
| logD: | 5.1476 |
| logSw: | -5.2708 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.088 |
| InChI Key: | CJGCPCHCKBXUAP-UHFFFAOYSA-N |