N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(4-ethoxyphenyl)urea
Chemical Structure Depiction of
N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(4-ethoxyphenyl)urea
N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(4-ethoxyphenyl)urea
Compound characteristics
| Compound ID: | K784-6564 |
| Compound Name: | N-[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-N'-(4-ethoxyphenyl)urea |
| Molecular Weight: | 613.71 |
| Molecular Formula: | C34 H39 N5 O6 |
| Smiles: | CCOc1ccc(cc1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1242 |
| logD: | 4.1241 |
| logSw: | -4.1456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.903 |
| InChI Key: | HKRHVXDJAKERSS-UHFFFAOYSA-N |