2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(4-methoxyphenyl)acetamide]
Chemical Structure Depiction of
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(4-methoxyphenyl)acetamide]
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(4-methoxyphenyl)acetamide]
Compound characteristics
Compound ID: | K284-7439 |
Compound Name: | 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(4-methoxyphenyl)acetamide] |
Molecular Weight: | 708.82 |
Molecular Formula: | C36 H32 N6 O6 S2 |
Smiles: | COc1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CCN1C(=Nc2ccccc2C1=O)SCC(Nc1ccc(cc1)OC)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.6367 |
logD: | 4.6366 |
logSw: | -4.3145 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 112.918 |
InChI Key: | WNIBBFVLQFJORB-UHFFFAOYSA-N |