2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M109-0617 |
| Compound Name: | 2-{[6-methyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C22 H20 N4 O2 S3 |
| Smiles: | Cc1ccc(cc1)c1c2c(C(N(C)C(=N2)SCC(Nc2cccc(c2)SC)=O)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.4656 |
| logD: | 4.4656 |
| logSw: | -4.2771 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.696 |
| InChI Key: | RVHYQYVUVZCNKI-UHFFFAOYSA-N |