methyl 2-{3-[(5-bromofuran-2-carbonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}benzoate
Chemical Structure Depiction of
methyl 2-{3-[(5-bromofuran-2-carbonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}benzoate
methyl 2-{3-[(5-bromofuran-2-carbonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}benzoate
Compound characteristics
| Compound ID: | K623-0361 |
| Compound Name: | methyl 2-{3-[(5-bromofuran-2-carbonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}benzoate |
| Molecular Weight: | 631.48 |
| Molecular Formula: | C31 H27 Br N4 O6 |
| Smiles: | COC(c1ccccc1NC(c1ccc(c(c1)NC(c1ccc(o1)[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3026 |
| logD: | 3.5793 |
| logSw: | -5.3256 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.975 |
| InChI Key: | FBZQMRWEVHZCHC-UHFFFAOYSA-N |