N-(3-methoxyphenyl)-N'-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(pyrrolidine-1-carbonyl)phenyl]urea
Chemical Structure Depiction of
N-(3-methoxyphenyl)-N'-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(pyrrolidine-1-carbonyl)phenyl]urea
N-(3-methoxyphenyl)-N'-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(pyrrolidine-1-carbonyl)phenyl]urea
Compound characteristics
| Compound ID: | K784-7942 |
| Compound Name: | N-(3-methoxyphenyl)-N'-[2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-5-(pyrrolidine-1-carbonyl)phenyl]urea |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C30 H33 N5 O4 |
| Smiles: | COc1cccc(c1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCCC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4719 |
| logD: | 4.4718 |
| logSw: | -4.3212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.252 |
| InChI Key: | YEWMHOGVONUTBG-UHFFFAOYSA-N |