N-(3-fluorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(3-fluorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0024 |
| Compound Name: | N-(3-fluorophenyl)-6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 482.57 |
| Molecular Formula: | C26 H27 F N2 O4 S |
| Smiles: | COc1ccc(cc1)OCC1c2cc(c(cc2CCN1C(Nc1cccc(c1)F)=S)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1309 |
| logD: | 5.1309 |
| logSw: | -5.1953 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.367 |
| InChI Key: | MDVODZJWGIYXKU-QHCPKHFHSA-N |