2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(3-methoxyphenyl)acetamide]
Chemical Structure Depiction of
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(3-methoxyphenyl)acetamide]
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(3-methoxyphenyl)acetamide]
Compound characteristics
| Compound ID: | K284-7412 |
| Compound Name: | 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis[N-(3-methoxyphenyl)acetamide] |
| Molecular Weight: | 708.82 |
| Molecular Formula: | C36 H32 N6 O6 S2 |
| Smiles: | COc1cccc(c1)NC(CSC1=Nc2ccccc2C(N1CCN1C(=Nc2ccccc2C1=O)SCC(Nc1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8048 |
| logD: | 4.8048 |
| logSw: | -4.4836 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.918 |
| InChI Key: | MIYDOVBMGIRXAA-UHFFFAOYSA-N |