N-(4-chlorophenyl)-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]urea
Chemical Structure Depiction of
N-(4-chlorophenyl)-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]urea
N-(4-chlorophenyl)-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]urea
Compound characteristics
| Compound ID: | K784-8706 |
| Compound Name: | N-(4-chlorophenyl)-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]urea |
| Molecular Weight: | 604.11 |
| Molecular Formula: | C32 H34 Cl N5 O5 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Nc1ccc(cc1)[Cl])=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.35 |
| logD: | 4.3498 |
| logSw: | -4.7265 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.779 |
| InChI Key: | SJDKPWPSCMOUJY-UHFFFAOYSA-N |