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'-(3-methoxyphenyl)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'-(3-methoxyphenyl)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'-(3-methoxyphenyl)urea
Compound characteristics
| Compound ID: | K784-7932 |
| 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'-(3-methoxyphenyl)urea |
| Molecular Weight: | 599.69 |
| Molecular Formula: | C33 H37 N5 O6 |
| Smiles: | COc1cccc(c1)NC(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8217 |
| logD: | 3.8216 |
| logSw: | -4.1453 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.323 |
| InChI Key: | OUBKSVVOEUDLHZ-UHFFFAOYSA-N |