2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8640-0232 |
| Compound Name: | 2-[(8,8-dimethyl-4-oxo-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | [H]N(C(CSC1=Nc2c(cc3COC(C)(C)Cc3n2)C(N1c1ccccc1)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6976 |
| logD: | 4.6963 |
| logSw: | -4.5182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.619 |
| InChI Key: | QMBMHBZJZVRJTC-UHFFFAOYSA-N |