N-(2,4-dichlorophenyl)-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]thiourea
Chemical Structure Depiction of
N-(2,4-dichlorophenyl)-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]thiourea
N-(2,4-dichlorophenyl)-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]thiourea
Compound characteristics
| Compound ID: | K784-6484 |
| Compound Name: | N-(2,4-dichlorophenyl)-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]thiourea |
| Molecular Weight: | 654.62 |
| Molecular Formula: | C32 H33 Cl2 N5 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Nc1ccc(cc1[Cl])[Cl])=S)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3072 |
| logD: | 5.307 |
| logSw: | -5.9397 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.601 |
| InChI Key: | RTJHWAHGCSRPFY-UHFFFAOYSA-N |