5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-phenyl-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-(2-methoxyphenyl)-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019157 |
| Compound Name: | 5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(2-methoxyphenyl)-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 529.66 |
| Molecular Formula: | C26 H19 N5 O2 S3 |
| Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.0748 |
| logD: | 5.0748 |
| logSw: | -4.707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.566 |
| InChI Key: | GMDLBIIFOYXSGL-UHFFFAOYSA-N |