2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(4-sulfamoylphenyl)ethyl]acetamide}
Chemical Structure Depiction of
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(4-sulfamoylphenyl)ethyl]acetamide}
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(4-sulfamoylphenyl)ethyl]acetamide}
Compound characteristics
| Compound ID: | K284-7634 |
| Compound Name: | 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(4-sulfamoylphenyl)ethyl]acetamide} |
| Molecular Weight: | 863.03 |
| Molecular Formula: | C38 H38 N8 O8 S4 |
| Smiles: | C(CNC(CSC1=Nc2ccccc2C(N1CCN1C(=Nc2ccccc2C1=O)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3051 |
| logD: | 0.3044 |
| logSw: | -2.289 |
| Hydrogen bond acceptors count: | 22 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 201.364 |
| InChI Key: | FKEMSUDFGLOQQS-UHFFFAOYSA-N |