2-{[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-{[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylbutyl)acetamide
2-{[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | K286-3742 |
| Compound Name: | 2-{[3-(3,4-dimethylphenyl)-6-(2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 554.75 |
| Molecular Formula: | C27 H30 N4 O3 S3 |
| Smiles: | CC(C)CCNC(CSC1=NC2=C(C(N1c1ccccc1OC)=O)SC(N2c1ccc(C)c(C)c1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4484 |
| logD: | 5.4484 |
| logSw: | -5.3453 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.868 |
| InChI Key: | FSESDZRYWZAKOB-UHFFFAOYSA-N |