5-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3921 |
| Compound Name: | 5-{[(5-acetyl-2-methoxyphenyl)methyl]sulfanyl}-3-(4-ethylphenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 577.72 |
| Molecular Formula: | C29 H24 F N3 O3 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCc2cc(ccc2OC)C(C)=O)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.1498 |
| logD: | 6.1498 |
| logSw: | -5.4991 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 48.412 |
| InChI Key: | NQVBWNFGVZASKW-UHFFFAOYSA-N |