dimethyl 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate
Chemical Structure Depiction of
dimethyl 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate
dimethyl 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate
Compound characteristics
| Compound ID: | K284-7461 |
| Compound Name: | dimethyl 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl(1-oxoethane-2,1-diyl)azanediyl]}dibenzoate |
| Molecular Weight: | 778.86 |
| Molecular Formula: | C39 H34 N6 O8 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccccc2C(N1CCCN1C(=Nc2ccccc2C1=O)SCC(Nc1ccccc1C(=O)OC)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.256 |
| logD: | 4.2477 |
| logSw: | -4.2595 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 138.783 |
| InChI Key: | VUDXCYAHGMNAOL-UHFFFAOYSA-N |