4-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran-4-yl)-1-methylquinolin-2(1H)-one
Chemical Structure Depiction of
4-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran-4-yl)-1-methylquinolin-2(1H)-one
4-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran-4-yl)-1-methylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | 8018-6079 |
| Compound Name: | 4-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran-4-yl)-1-methylquinolin-2(1H)-one |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C21 H21 N O2 S |
| Smiles: | CN1C(C=C(C2c3ccsc3C3CCCCC3O2)c2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3864 |
| logD: | 4.3864 |
| logSw: | -4.4406 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.2345 |
| InChI Key: | MZUCILPNLOGHPD-UHFFFAOYSA-N |