2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | M109-0696 |
| Compound Name: | 2-{[6-ethyl-3-(4-methylphenyl)-7-oxo-6,7-dihydro[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C23 H21 F N4 O2 S2 |
| Smiles: | CCN1C(=Nc2c(c3ccc(C)cc3)nsc2C1=O)SCC(Nc1ccc(C)c(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2052 |
| logD: | 5.2051 |
| logSw: | -4.9091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.655 |
| InChI Key: | PRORJQWQHAGINM-UHFFFAOYSA-N |