diethyl 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetate
Chemical Structure Depiction of
diethyl 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetate
diethyl 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetate
Compound characteristics
| Compound ID: | K284-7420 |
| Compound Name: | diethyl 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetate |
| Molecular Weight: | 554.64 |
| Molecular Formula: | C26 H26 N4 O6 S2 |
| Smiles: | CCOC(CSC1=Nc2ccccc2C(N1CCN1C(=Nc2ccccc2C1=O)SCC(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0942 |
| logD: | 3.0942 |
| logSw: | -3.5274 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 92.393 |
| InChI Key: | NWFXAVIOSNMJEB-UHFFFAOYSA-N |