5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4219 |
| Compound Name: | 5-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3-(5-chloro-2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 500.42 |
| Molecular Formula: | C19 H12 Cl2 F N3 O2 S3 |
| Smiles: | COc1ccc(cc1N1C2=C(C(NC(=N2)SCc2ccc(cc2[Cl])F)=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2489 |
| logD: | 5.2482 |
| logSw: | -5.7547 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.625 |
| InChI Key: | PAUYHDLDIBBAGP-UHFFFAOYSA-N |