5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-methylphenyl)-6-(4-methylphenyl)-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]-3-(2-methylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-methylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3958 |
| Compound Name: | 5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-3-(2-methylphenyl)-6-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 495.68 |
| Molecular Formula: | C25 H25 N3 O2 S3 |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccccc1C)=S)SCC(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8874 |
| logD: | 5.8874 |
| logSw: | -5.5082 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 40.172 |
| InChI Key: | QCAIDXVLQUVWRR-UHFFFAOYSA-N |