3-(3,4-dimethylphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(3,4-dimethylphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-4170 |
| Compound Name: | 3-(3,4-dimethylphenyl)-5-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-6-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 536.74 |
| Molecular Formula: | C27 H28 N4 O2 S3 |
| Smiles: | CC1CCN(CC1)C(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccc(C)c(C)c1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5118 |
| logD: | 5.5118 |
| logSw: | -5.3821 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.347 |
| InChI Key: | BWHITUZNRVUBIM-UHFFFAOYSA-N |