N-(2-chlorophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(2-chlorophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(2-chlorophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0100 |
| Compound Name: | N-(2-chlorophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 486.99 |
| Molecular Formula: | C25 H24 Cl F N2 O3 S |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)F)c2cc1OC)C(Nc1ccccc1[Cl])=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4186 |
| logD: | 5.4186 |
| logSw: | -5.9944 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.126 |
| InChI Key: | UQPXSMOBLVLOCG-QFIPXVFZSA-N |