6,6-dimethyl-3-(2-methylphenyl)-2-[(2-methylprop-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-[(2-methylprop-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-[(2-methylprop-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: | 8640-0456 |
| Compound Name: | 6,6-dimethyl-3-(2-methylphenyl)-2-[(2-methylprop-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: | 412.57 |
| Molecular Formula: | C22 H24 N2 O2 S2 |
| Smiles: | CC(=C)CSC1=Nc2c(C(N1c1ccccc1C)=O)c1CC(C)(C)OCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 5.572 |
| logD: | 5.572 |
| logSw: | -5.5324 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.65 |
| InChI Key: | UPAGINMZMLAUEL-UHFFFAOYSA-N |