2-fluorophenyl {[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Chemical Structure Depiction of
2-fluorophenyl {[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
2-fluorophenyl {[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K286-4062 |
| Compound Name: | 2-fluorophenyl {[3-(3,4-dimethylphenyl)-7-oxo-6-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetate |
| Molecular Weight: | 549.66 |
| Molecular Formula: | C27 H20 F N3 O3 S3 |
| Smiles: | Cc1ccc(cc1C)N1C2=C(C(N(C(=N2)SCC(=O)Oc2ccccc2F)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.1685 |
| logD: | 6.1685 |
| logSw: | -5.4581 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.096 |
| InChI Key: | RXNSIVFWHNGKDP-UHFFFAOYSA-N |