6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018809 |
| Compound Name: | 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 553.72 |
| Molecular Formula: | C27 H27 N3 O4 S3 |
| Smiles: | COc1ccc(c(c1)N1C2=C(C(N(C3CCCCC3)C(=N2)SCC(c2ccccc2)=O)=O)SC1=S)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6301 |
| logD: | 5.6301 |
| logSw: | -5.3781 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 54.908 |
| InChI Key: | ZLIHRALVYXCUMF-UHFFFAOYSA-N |