1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0110 |
| Compound Name: | 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 497.54 |
| Molecular Formula: | C25 H24 F N3 O5 S |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)F)c2cc1OC)C(Nc1ccc(cc1)[N+]([O-])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9499 |
| logD: | 4.9499 |
| logSw: | -4.6473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.205 |
| InChI Key: | XFBCKCKADSWKJP-QFIPXVFZSA-N |