2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetonitrile
Chemical Structure Depiction of
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetonitrile
2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetonitrile
Compound characteristics
| Compound ID: | K284-7441 |
| Compound Name: | 2,2'-{propane-1,3-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetonitrile |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C23 H18 N6 O2 S2 |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCC#N)CN1C(=Nc2ccccc2C1=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.9839 |
| logD: | 1.9839 |
| logSw: | -2.5641 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.059 |
| InChI Key: | LZCUBGWBKRLJEB-UHFFFAOYSA-N |