N-benzyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-benzyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-benzyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0044 |
| Compound Name: | N-benzyl-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C27 H30 N2 O4 S |
| Smiles: | COc1ccccc1OCC1c2cc(c(cc2CCN1C(NCc1ccccc1)=S)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4332 |
| logD: | 4.4332 |
| logSw: | -4.2672 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.863 |
| InChI Key: | JNTFDZPMMWYOIP-QFIPXVFZSA-N |