3-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-2165 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-6-(4-fluorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 563.11 |
| Molecular Formula: | C23 H16 Cl F N4 O2 S4 |
| Smiles: | Cc1nc(CSC2=NC3=C(C(N2c2ccc(cc2)F)=O)SC(N3c2cc(ccc2OC)[Cl])=S)cs1 |
| Stereo: | ACHIRAL |
| logP: | 5.5909 |
| logD: | 5.5909 |
| logSw: | -5.8926 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.591 |
| InChI Key: | IQJYGRASBCZUSR-UHFFFAOYSA-N |