3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-5-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-5-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-5-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3578 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-5-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 531.98 |
| Molecular Formula: | C20 H13 Cl F3 N3 O3 S3 |
| Smiles: | COc1ccc(cc1N1C2=C(C(NC(=N2)SCc2ccc(cc2)OC(F)(F)F)=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2629 |
| logD: | 5.262 |
| logSw: | -5.7696 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.562 |
| InChI Key: | URUQWMWHGSQIHE-UHFFFAOYSA-N |