4-{[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]methyl}benzonitrile
4-{[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C746-0565 |
| Compound Name: | 4-{[3-(4-methylphenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]methyl}benzonitrile |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C25 H17 N3 O S2 |
| Smiles: | Cc1ccc(cc1)C1=C2N(Cc3ccc(C#N)cc3)C(c3ccccc3N2C(=S)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6898 |
| logD: | 5.6898 |
| logSw: | -5.4281 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.844 |
| InChI Key: | YUHONPAWOKANMQ-UHFFFAOYSA-N |