2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide}
Chemical Structure Depiction of
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide}
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide}
Compound characteristics
| Compound ID: | K284-7403 |
| Compound Name: | 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide} |
| Molecular Weight: | 839 |
| Molecular Formula: | C43 H46 N6 O8 S2 |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccccc3C(N2CCCN2C(=Nc3ccccc3C2=O)SCC(NCCc2ccc(c(c2)OC)OC)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.753 |
| logD: | 2.753 |
| logSw: | -3.4802 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.68 |
| InChI Key: | KOTMPWQMVLEFCW-UHFFFAOYSA-N |