2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | D068-0006 |
| Compound Name: | 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C26 H29 N3 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc2CC(C)(C)OCc2c(n1)SCC(Nc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0481 |
| logD: | 7.0457 |
| logSw: | -5.5533 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.666 |
| InChI Key: | AXDXZUICIDURDB-UHFFFAOYSA-N |