diethyl {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}propanedioate
Chemical Structure Depiction of
diethyl {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}propanedioate
diethyl {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}propanedioate
Compound characteristics
| Compound ID: | K623-0042 |
| Compound Name: | diethyl {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}propanedioate |
| Molecular Weight: | 655.5 |
| Molecular Formula: | C30 H31 Br N4 O8 |
| Smiles: | CCOC(C(C(=O)OCC)NC(c1ccc(c(c1)NC(c1ccc(o1)[Br])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7613 |
| logD: | 2.65 |
| logSw: | -4.1219 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.952 |
| InChI Key: | VRVFJQBJBWYMKI-UHFFFAOYSA-N |