8-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
8-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one
8-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G777-0225 |
| Compound Name: | 8-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-2,3-dihydro-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 349.45 |
| Molecular Formula: | C21 H19 N O2 S |
| Smiles: | C1CN(CC=C1c1ccccc1)C(c1cccc2C(CCSc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.789 |
| logD: | 3.789 |
| logSw: | -4.1087 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.7837 |
| InChI Key: | CTTOQARDDUBHOF-UHFFFAOYSA-N |