diethyl 4,4'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate
Chemical Structure Depiction of
diethyl 4,4'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate
diethyl 4,4'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate
Compound characteristics
| Compound ID: | K284-7599 |
| Compound Name: | diethyl 4,4'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate |
| Molecular Weight: | 792.89 |
| Molecular Formula: | C40 H36 N6 O8 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CCN1C(=Nc2ccccc2C1=O)SCC(Nc1ccc(cc1)C(=O)OCC)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8747 |
| logD: | 5.8746 |
| logSw: | -5.4635 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 139.338 |
| InChI Key: | OJVBFOOMBVACJV-UHFFFAOYSA-N |