2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide}
Chemical Structure Depiction of
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide}
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide}
Compound characteristics
| Compound ID: | K284-7411 |
| Compound Name: | 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide} |
| Molecular Weight: | 824.98 |
| Molecular Formula: | C42 H44 N6 O8 S2 |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccccc3C(N2CCN2C(=Nc3ccccc3C2=O)SCC(NCCc2ccc(c(c2)OC)OC)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6181 |
| logD: | 2.6181 |
| logSw: | -3.2851 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.68 |
| InChI Key: | OYCHOAQBNVSYCD-UHFFFAOYSA-N |