3-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidin-1-yl]-4-ethyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidin-1-yl]-4-ethyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
3-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidin-1-yl]-4-ethyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | C797-1651 |
| Compound Name: | 3-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidin-1-yl]-4-ethyl-5-(4-methylphenyl)-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C27 H31 N3 O3 S |
| Smiles: | CCC1=C(c2ccc(C)cc2)S(N=C1N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5908 |
| logD: | 4.5908 |
| logSw: | -4.276 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.44 |
| InChI Key: | GYLIMDWOABLCPM-UHFFFAOYSA-N |