2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8640-0264 |
| Compound Name: | 2-{[6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 445.62 |
| Molecular Formula: | C21 H23 N3 O2 S3 |
| Smiles: | [H]N(C(CSc1c2c3CC(C)(C)OCc3sc2nc(n1)SC)=O)c1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 5.2108 |
| logD: | 5.2108 |
| logSw: | -5.2012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.565 |
| InChI Key: | RYVIIDBILGFFQH-UHFFFAOYSA-N |