2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide}
Chemical Structure Depiction of
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide}
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide}
Compound characteristics
| Compound ID: | K284-7456 |
| Compound Name: | 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide} |
| Molecular Weight: | 726.96 |
| Molecular Formula: | C39 H46 N6 O4 S2 |
| Smiles: | C1CCC(CCNC(CSC2=Nc3ccccc3C(N2CCCN2C(=Nc3ccccc3C2=O)SCC(NCCC2CCCCC=2)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4598 |
| logD: | 4.4598 |
| logSw: | -4.3341 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.542 |
| InChI Key: | QDKZTSHVXNGTIU-UHFFFAOYSA-N |