methyl 2-{[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}benzoate
methyl 2-{[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G797-0350 |
| Compound Name: | methyl 2-{[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-1,4-diazepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 522.4 |
| Molecular Formula: | C25 H24 Br N5 O3 |
| Smiles: | COC(c1ccccc1NC(N1CCCN(CC1)c1c2cccn2c2ccc(cc2n1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4639 |
| logD: | 5.3803 |
| logSw: | -5.3785 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.242 |
| InChI Key: | RAJNFGNADDQKMR-UHFFFAOYSA-N |