1H-Indole, 3-(4,5-dihydro-3-(4-methoxyphenyl)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl)-2-(4-methoxyphenyl)-
Basic information
- CAS
76195-74-9- Standard SMILES
COc1ccc(C2=NN(c3c(Cl)cc(Cl)cc3Cl)C(c3c(-c4ccc(OC)cc4)[nH]c4ccccc34)C2)cc1- InChIKey
NYONMZSCXZEJJG-UHFFFAOYSA-N- Molecular formula
- C31H24Cl3N3O2
- Average molar mass
- 576.9 g/mol
- Monoisotopic mass
- 575.09341
Names & identifiers
- Preferred name
- 1H-Indole, 3-(4,5-dihydro-3-(4-methoxyphenyl)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl)-2-(4-methoxyphenyl)-
- IUPAC
- 2-(4-methoxyphenyl)-3-[5-(4-methoxyphenyl)-2-(2,4,6-trichlorophenyl)-3,4-dihydropyrazol-3-yl]-1H-indole
Names & synonyms
76195-74-91H-Indole, 3-(4,5-dihydro-3-(4-methoxyphenyl)-1-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl)-2-(4-methoxyphenyl)-RefChem:238791DTXSID309975352-(4-Methoxyphenyl)-3-[3-(4-methoxyphenyl)-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-indole
Database identifiers
- CAS
76195-74-9- PubChem CID
- 3059166
- DTXSID
DTXSID30997535
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 835
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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