N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0067 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 513.06 |
| Molecular Formula: | C27 H29 Cl N2 O4 S |
| Smiles: | Cc1c(cccc1[Cl])NC(N1CCc2cc(c(cc2C1COc1ccccc1OC)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0175 |
| logD: | 6.0175 |
| logSw: | -6.148 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.843 |
| InChI Key: | XTEHVSOFPNGDKI-QFIPXVFZSA-N |