2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide}
Chemical Structure Depiction of
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide}
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide}
Compound characteristics
| Compound ID: | K284-7426 |
| Compound Name: | 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide} |
| Molecular Weight: | 712.94 |
| Molecular Formula: | C38 H44 N6 O4 S2 |
| Smiles: | C1CCC(CCNC(CSC2=Nc3ccccc3C(N2CCN2C(=Nc3ccccc3C2=O)SCC(NCCC2CCCCC=2)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.3249 |
| logD: | 4.3249 |
| logSw: | -4.2795 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.542 |
| InChI Key: | MQRTYROPKRKRHY-UHFFFAOYSA-N |