2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(2,4-dimethoxyphenyl)acetamide]
Chemical Structure Depiction of
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(2,4-dimethoxyphenyl)acetamide]
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(2,4-dimethoxyphenyl)acetamide]
Compound characteristics
| Compound ID: | K284-7627 |
| Compound Name: | 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(2,4-dimethoxyphenyl)acetamide] |
| Molecular Weight: | 782.9 |
| Molecular Formula: | C39 H38 N6 O8 S2 |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1=Nc2ccccc2C(N1CCCN1C(=Nc2ccccc2C1=O)SCC(Nc1ccc(cc1OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2973 |
| logD: | 4.2972 |
| logSw: | -4.234 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 126.783 |
| InChI Key: | DIYNCXNUPQLHAX-UHFFFAOYSA-N |