(4-tert-Butylphenyl)(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone
Basic information
- CAS
883561-05-5- Standard SMILES
CC(C)(C)c1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2)cc1- InChIKey
ZAPRHTYRHIMLAK-UHFFFAOYSA-N- Molecular formula
- C22H24N2O
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.18886339
Names & identifiers
- Preferred name
- (4-tert-Butylphenyl)(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone
- IUPAC
- (4-tert-butylphenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
Names & synonyms
SCHEMBL13942342DTXSID101127464883561-05-5(4-tert-Butylphenyl)(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone[4-(1,1-Dimethylethyl)phenyl](1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone
Database identifiers
- CAS
883561-05-5- PubChem CID
- 11645660
- DTXSID
DTXSID101127464- Nikkaji
- J2.300.589A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…