2-{[3-(4-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]methyl}benzonitrile
2-{[3-(4-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C746-0032 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]methyl}benzonitrile |
| Molecular Weight: | 459.97 |
| Molecular Formula: | C24 H14 Cl N3 O S2 |
| Smiles: | C(c1ccccc1C#N)N1C2=C(c3ccc(cc3)[Cl])SC(N2c2ccccc2C1=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.872 |
| logD: | 5.872 |
| logSw: | -6.0539 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.844 |
| InChI Key: | XKSMLJFYAXNVJQ-UHFFFAOYSA-N |