N-(4-bromophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(4-bromophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-(4-bromophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C111-0069 |
| Compound Name: | N-(4-bromophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 543.48 |
| Molecular Formula: | C26 H27 Br N2 O4 S |
| Smiles: | COc1ccccc1OCC1c2cc(c(cc2CCN1C(Nc1ccc(cc1)[Br])=S)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7004 |
| logD: | 5.7004 |
| logSw: | -5.5394 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.541 |
| InChI Key: | VMPGDYXLNSOJQP-NRFANRHFSA-N |