5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-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}-3-(2-ethoxyphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0492 |
| Compound Name: | 5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-(2-ethoxyphenyl)-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 543.69 |
| Molecular Formula: | C27 H21 N5 O2 S3 |
| Smiles: | CCOc1ccccc1N1C2=C(C(N(C(=N2)SCc2nc3ccccc3[nH]2)c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.5381 |
| logD: | 5.538 |
| logSw: | -5.446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.145 |
| InChI Key: | JQLHATMJVRUOSZ-UHFFFAOYSA-N |