5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-fluorophenyl)-6-phenyl-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-phenyl-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-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0268 |
| Compound Name: | 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-fluorophenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C23 H20 F N3 O2 S3 |
| Smiles: | CC(C)(C)C(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccccc1F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9648 |
| logD: | 4.9648 |
| logSw: | -4.6528 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.172 |
| InChI Key: | JBYZBSBWBLPTSK-UHFFFAOYSA-N |