2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[4-(propan-2-yl)phenyl]acetamide}
Chemical Structure Depiction of
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[4-(propan-2-yl)phenyl]acetamide}
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[4-(propan-2-yl)phenyl]acetamide}
Compound characteristics
| Compound ID: | K284-7527 |
| Compound Name: | 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}bis{N-[4-(propan-2-yl)phenyl]acetamide} |
| Molecular Weight: | 746.95 |
| Molecular Formula: | C41 H42 N6 O4 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CCCN1C(=Nc2ccccc2C1=O)SCC(Nc1ccc(cc1)C(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4832 |
| logD: | 7.4832 |
| logSw: | -5.6534 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.831 |
| InChI Key: | CIASEGGCHAZWMC-UHFFFAOYSA-N |