5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0909 |
| Compound Name: | 5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(4-ethoxyphenyl)-3-(3-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 573.71 |
| Molecular Formula: | C28 H23 N5 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cccc(c1)OC)=S)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.8699 |
| logD: | 5.8699 |
| logSw: | -5.4616 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.903 |
| InChI Key: | DXESILWJLHHQLU-UHFFFAOYSA-N |