Basic information
- CAS
62516-07-8- Standard SMILES
C(=C1\CCCC2C1=NN(CCCN1CCOCC1)C2c1ccccc1)/c1ccccc1- InChIKey
OQJLLWQBHIUEHH-FLFQWRMESA-N- Molecular formula
- C27H33N3O
- Average molar mass
- 415.6 g/mol
- Monoisotopic mass
- 415.26236269
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- SQ 26298
- IUPAC
- 4-[3-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]propyl]morpholine
Names & synonyms
HMPPISQ 26298SQ 26,29862516-07-8RefChem:185093SQ-26298SQ-26,2983,3a,4,5,6,7-Hexahydro-2-(3-(4-morpholinyl)propyl)-3-phenyl-7-(phenylmethylene)-2H-indazole2H-Indazole, 3,3a,4,5,6,7-hexahydro-2-(3-(4-morpholinyl)propyl)-3-phenyl-7-(phenylmethylene)-4-[3-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]propyl]morpholineCHEMBL3303602SCHEMBL11731483
Database identifiers
- CAS
62516-07-8- PubChem CID
- 6441900
- ChEMBL
CHEMBL3303602
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 28.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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