4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran
Compound characteristics
| Compound ID: | 8017-7489 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran |
| Molecular Weight: | 328.43 |
| Molecular Formula: | C19 H20 O3 S |
| Smiles: | Cc1cc2C(c3ccc4c(c3)OCO4)OC3CCCCC3c2s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5352 |
| logD: | 5.5352 |
| logSw: | -5.5103 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.9323 |
| InChI Key: | KCUMDOBAIIFHQY-UHFFFAOYSA-N |