[1-(4-chloro-3-nitrophenyl)-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](3-methoxyphenyl)methanone
Basic information
- CAS
889951-06-8- Standard SMILES
COc1cccc(C(=O)N2CCc3c([nH]c4ccc(OC)cc34)C2c2ccc(Cl)c([N+](=O)[O-])c2)c1- InChIKey
NBBSSZJPIQQOHE-UHFFFAOYSA-N- Molecular formula
- C26H22ClN3O5
- Average molar mass
- 491.9 g/mol
- Monoisotopic mass
- 491.1247985
Names & identifiers
- Preferred name
- [1-(4-chloro-3-nitrophenyl)-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](3-methoxyphenyl)methanone
- IUPAC
- [1-(4-chloro-3-nitrophenyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methoxyphenyl)methanone
Names & synonyms
889951-06-8[1-(4-Chloro-3-nitrophenyl)-1,3,4,9-tetrahydro-6-methoxy-2H-pyrido[3,4-b]indol-2-yl](3-methoxyphenyl)methanoneDTXSID801108285STK783555AKOS001730840AKOS022019516[1-(4-chloro-3-nitrophenyl)-6-methoxy-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl](3-methoxyphenyl)methanone[1-(4-chloro-3-nitrophenyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methoxyphenyl)methanone1-(4-chloro-3-nitrophenyl)-6-methoxy-2-(3-methoxybenzoyl)-2,3,4,9-tetrahydro-1H-beta-carboline
Database identifiers
- CAS
889951-06-8- PubChem CID
- 5301437
- DTXSID
DTXSID801108285
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 781
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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