5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-fluorophenyl)-6-(4-fluorophenyl)-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-fluorophenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-fluorophenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3521 |
| Compound Name: | 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-fluorophenyl)-6-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 503.61 |
| Molecular Formula: | C23 H19 F2 N3 O2 S3 |
| Smiles: | CC(C)(C)C(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2c1ccccc1F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1155 |
| logD: | 5.1155 |
| logSw: | -4.9834 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.172 |
| InChI Key: | ODFSNNDVMQJDGZ-UHFFFAOYSA-N |