| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 27 | Yes |
Popular Name: 2-(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoic acid 2-(6,7-Dimethoxy-3,3-dimethyl-3,…
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CAS Number: 332358-89-1
2-(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoicacid
DIMETHOXYDIMETHYLDIHYDROISOQUINOLINYLMETHYLSULFANYLBENZOICACI
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.85 | 9.94 | -60.42 | 0 | 5 | -1 | 71 | 384.477 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.