5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4001 |
| Compound Name: | 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 513.67 |
| Molecular Formula: | C25 H24 F N3 O2 S3 |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cc(C)ccc1F)=S)SCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.128 |
| logD: | 6.128 |
| logSw: | -5.433 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.172 |
| InChI Key: | OUQHQZPKSAQBLO-UHFFFAOYSA-N |