2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(4-methylphenyl)butanamide]
Chemical Structure Depiction of
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(4-methylphenyl)butanamide]
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(4-methylphenyl)butanamide]
Compound characteristics
| Compound ID: | K284-7466 |
| Compound Name: | 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(4-methylphenyl)butanamide] |
| Molecular Weight: | 746.95 |
| Molecular Formula: | C41 H42 N6 O4 S2 |
| Smiles: | CCC(C(Nc1ccc(C)cc1)=O)SC1=Nc2ccccc2C(N1CCCN1C(=Nc2ccccc2C1=O)SC(CC)C(Nc1ccc(C)cc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.6753 |
| logD: | 7.6753 |
| logSw: | -5.7399 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.257 |
| InChI Key: | YIRPAFFIGMAONE-UHFFFAOYSA-N |