5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | F143-0379 |
| Compound Name: | 5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C21 H17 Cl F N3 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(N(C)C(=N2)SCc2c(cccc2[Cl])F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.2506 |
| logD: | 5.2506 |
| logSw: | -5.6964 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 34.727 |
| InChI Key: | TUKGTIFEMCSKCF-UHFFFAOYSA-N |