2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)propanamide
Chemical Structure Depiction of
2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)propanamide
2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)propanamide
Compound characteristics
| Compound ID: | D068-0008 |
| Compound Name: | 2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)propanamide |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C26 H29 N3 O2 S |
| Smiles: | CC(C(Nc1ccc(C)cc1)=O)Sc1c2COC(C)(C)Cc2nc(c2ccc(C)cc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9448 |
| logD: | 6.9437 |
| logSw: | -5.6401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.879 |
| InChI Key: | ZOPNLERRDCKIOX-SFHVURJKSA-N |