| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2012 | 23 | Yes |
Popular Name: MFCD21605936 MFCD21605936
Find On: PubMed — Wikipedia — Google
CAS Number: 1361112-86-8
3-Azepan-2-ylmethyl-benzo[b]thiophene-2-carboxylic acid (2-hydroxy-ethyl)-amide
3-Azepan-2-ylmethyl-benzo[b]thiophene-2-carboxylic acid (2-hydroxy-ethyl)-amide hydrochloride
3-Azepan-2-ylmethyl-benzo[b]thiophene-2-carboxylic acid(2-hydroxy-ethyl)-amide hydrochloride
AZEPANYLMETHYLBENZOTHIOPHENECARBOXYLICACIDHYDROXYETHYLAMIDEHYDROCHLORID
| 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) | 3.00 | 4.75 | -37.44 | 4 | 4 | 1 | 66 | 333.477 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.