5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0760 |
| Compound Name: | 5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 547.65 |
| Molecular Formula: | C26 H18 F N5 O2 S3 |
| Smiles: | COc1cccc(c1)N1C2=C(C(N(C(=N2)SCc2nc3ccccc3[nH]2)c2ccc(cc2)F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.53 |
| logD: | 5.53 |
| logSw: | -5.436 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.78 |
| InChI Key: | NTFLQZXPFXMOIH-UHFFFAOYSA-N |