5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-6-(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}-3-(2,6-dimethylphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-6-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018650 |
| Compound Name: | 5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-(2,6-dimethylphenyl)-6-(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)c1N1C2=C(C(N(CCc3ccccc3)C(=N2)SCc2nc3ccccc3[nH]2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.6982 |
| logD: | 6.6977 |
| logSw: | -5.697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.224 |
| InChI Key: | DNHIGHNXKPSPAY-UHFFFAOYSA-N |