5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(4-fluorophenyl)-3-(3-methoxyphenyl)-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]-6-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0754 |
| Compound Name: | 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C24 H22 F N3 O3 S3 |
| Smiles: | CC(C)(C)C(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2c1cccc(c1)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2288 |
| logD: | 5.2288 |
| logSw: | -5.1148 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 48.017 |
| InChI Key: | PCHSQWZQAPNARC-UHFFFAOYSA-N |