5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(4-methylphenyl)-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}-3-(3,4-dimethylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3661 |
| Compound Name: | 5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-(3,4-dimethylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 541.72 |
| Molecular Formula: | C28 H23 N5 O S3 |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(C)c(C)c1)=S)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 6.893 |
| logD: | 6.8929 |
| logSw: | -5.5275 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.236 |
| InChI Key: | TXTWUUCQKNXRCW-UHFFFAOYSA-N |