5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-cyclohexyl-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-cyclohexyl-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-cyclohexyl-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018754 |
| Compound Name: | 5-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-6-cyclohexyl-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 533.74 |
| Molecular Formula: | C27 H27 N5 O S3 |
| Smiles: | C1CCC(CC1)N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 6.4195 |
| logD: | 6.419 |
| logSw: | -5.8736 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.659 |
| InChI Key: | WDVSTYYZUASIBU-UHFFFAOYSA-N |