4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[(3-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[(3-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[(3-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | G797-0397 |
| Compound Name: | 4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-[(3-methoxyphenyl)methyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 508.42 |
| Molecular Formula: | C25 H26 Br N5 O2 |
| Smiles: | COc1cccc(CNC(N2CCCN(CC2)c2c3cccn3c3ccc(cc3n2)[Br])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0681 |
| logD: | 4.8216 |
| logSw: | -4.8203 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.632 |
| InChI Key: | HHSYRJXKRUNAKW-UHFFFAOYSA-N |