2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(trifluoromethyl)phenyl]acetamide}
Chemical Structure Depiction of
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(trifluoromethyl)phenyl]acetamide}
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(trifluoromethyl)phenyl]acetamide}
Compound characteristics
| Compound ID: | K284-7598 |
| Compound Name: | 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(trifluoromethyl)phenyl]acetamide} |
| Molecular Weight: | 784.76 |
| Molecular Formula: | C36 H26 F6 N6 O4 S2 |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCC(Nc1ccccc1C(F)(F)F)=O)N1C(=Nc2ccccc2C1=O)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7031 |
| logD: | 5.7031 |
| logSw: | -5.7529 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.435 |
| InChI Key: | YHHQXVWHXOIQGB-UHFFFAOYSA-N |