N-butyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-butyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-butyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0077 |
| Compound Name: | N-butyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C23 H29 F N2 O3 S |
| Smiles: | CCCCNC(N1CCc2cc(c(cc2C1COc1ccc(cc1)F)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6518 |
| logD: | 4.6518 |
| logSw: | -4.3394 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.259 |
| InChI Key: | ZSDPVQBSHRJVDP-FQEVSTJZSA-N |