2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetonitrile
Chemical Structure Depiction of
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetonitrile
2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetonitrile
Compound characteristics
| Compound ID: | K284-2783 |
| Compound Name: | 2,2'-{ethane-1,2-diylbis[(4-oxoquinazoline-3,2(4H)-diyl)sulfanediyl]}diacetonitrile |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C22 H16 N6 O2 S2 |
| Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCC#N)N1C(=Nc2ccccc2C1=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.8489 |
| logD: | 1.8489 |
| logSw: | -2.4715 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.059 |
| InChI Key: | JKSXGPAEBSPCLH-UHFFFAOYSA-N |