4-[(2-chloro-6-fluorophenyl)methyl]-3-phenyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(2-chloro-6-fluorophenyl)methyl]-3-phenyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one
4-[(2-chloro-6-fluorophenyl)methyl]-3-phenyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | C870-0139 |
| Compound Name: | 4-[(2-chloro-6-fluorophenyl)methyl]-3-phenyl-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]thieno[2,3-e]pyrimidin-5(4H)-one |
| Molecular Weight: | 458.98 |
| Molecular Formula: | C21 H12 Cl F N2 O S3 |
| Smiles: | C(c1c(cccc1[Cl])F)N1C2=C(c3ccccc3)SC(N2c2ccsc2C1=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.002 |
| logD: | 6.002 |
| logSw: | -6.1024 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 18.8063 |
| InChI Key: | DVCKFSYDBMGUES-UHFFFAOYSA-N |