2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | C280-1050 |
| Compound Name: | 2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C21 H22 N4 O3 S2 |
| Smiles: | CC1CC2=C(C(N(C(=N2)SCC(Nc2cc(C)on2)=O)c2cc(C)cc(C)c2)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0753 |
| logD: | 4.0661 |
| logSw: | -4.0408 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.441 |
| InChI Key: | RCGNSNDZQVRBHN-AWEZNQCLSA-N |