Basic information
- CAS
50279-97-5- Standard SMILES
C[NH+]1CCc2c(c3cc4c(cc3n2C(=O)c2cccc(Br)c2)OCO4)C1.[Cl-]- InChIKey
DASDAHQHHDTVAP-UHFFFAOYSA-N- Molecular formula
- C20H18BrClN2O3
- Average molar mass
- 449.7 g/mol
- Monoisotopic mass
- 448.01893
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(m-bromobenzoyl)-8-methyl-, monohydrochloride
- IUPAC
- (3-bromophenyl)-(4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)methanone chloride
Names & synonyms
5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(m-bromobenzoyl)-8-methyl-, monohydrochloride50279-97-5RefChem:10733986,7,8,9-Tetrahydro-5-(m-bromobenzoyl)-8-methyl-5H-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole HCl
Database identifiers
- CAS
50279-97-5- PubChem CID
- 39574
Properties
Computed structural properties
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…