5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3994 |
| Compound Name: | 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-(2-methoxyphenyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 525.71 |
| Molecular Formula: | C26 H27 N3 O3 S3 |
| Smiles: | CC(C)(C)C(CSC1=NC2=C(C(N1c1ccccc1OC)=O)SC(N2CCc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.47 |
| logD: | 5.47 |
| logSw: | -5.3105 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 48.392 |
| InChI Key: | OPZZSNSPQFQQRK-UHFFFAOYSA-N |