6,6-dimethyl-3-(2-methylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
6,6-dimethyl-3-(2-methylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
6,6-dimethyl-3-(2-methylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8640-0455 |
| Compound Name: | 6,6-dimethyl-3-(2-methylphenyl)-2-[(prop-2-en-1-yl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 398.54 |
| Molecular Formula: | C21 H22 N2 O2 S2 |
| Smiles: | Cc1ccccc1N1C(=Nc2c(C1=O)c1CC(C)(C)OCc1s2)SCC=C |
| Stereo: | ACHIRAL |
| logP: | 5.1331 |
| logD: | 5.1331 |
| logSw: | -5.1037 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.65 |
| InChI Key: | MJKDYQQOEGDTKW-UHFFFAOYSA-N |