6-(3,4-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(3,4-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0302 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 527.68 |
| Molecular Formula: | C25 H25 N3 O4 S3 |
| Smiles: | CC(C)(C)C(CSC1=NC2=C(C(N1c1ccc(c(c1)OC)OC)=O)SC(N2c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.572 |
| logD: | 4.572 |
| logSw: | -4.5331 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 55.734 |
| InChI Key: | AWWFSBIXHUXHNN-UHFFFAOYSA-N |