5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-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-(2,6-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0019354 |
| Compound Name: | 5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-(2,6-dimethylphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 555.74 |
| Molecular Formula: | C29 H25 N5 O S3 |
| Smiles: | Cc1cccc(C)c1N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 6.6982 |
| logD: | 6.6981 |
| logSw: | -5.697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.224 |
| InChI Key: | YEDAIPFIWSGULC-UHFFFAOYSA-N |