N-ethyl-2-{[3-(4-ethylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
N-ethyl-2-{[3-(4-ethylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide
N-ethyl-2-{[3-(4-ethylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K286-4013 |
| Compound Name: | N-ethyl-2-{[3-(4-ethylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 586.8 |
| Molecular Formula: | C31 H30 N4 O2 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(N(CC)c2cccc(C)c2)=O)c2ccc(C)cc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 7.1911 |
| logD: | 7.1911 |
| logSw: | -5.5075 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 42.046 |
| InChI Key: | QLDVVGIMHWFBJL-UHFFFAOYSA-N |