2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(butan-2-yl)acetamide]
Chemical Structure Depiction of
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(butan-2-yl)acetamide]
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(butan-2-yl)acetamide]
Compound characteristics
| Compound ID: | K284-7455 |
| Compound Name: | 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(butan-2-yl)acetamide] |
| Molecular Weight: | 622.81 |
| Molecular Formula: | C31 H38 N6 O4 S2 |
| Smiles: | CCC(C)NC(CSC1=Nc2ccccc2C(N1CCCN1C(=Nc2ccccc2C1=O)SCC(NC(C)CC)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1013 |
| logD: | 3.1013 |
| logSw: | -3.627 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.901 |
| InChI Key: | VWXZKBRIASLBKE-UHFFFAOYSA-N |