17-(4-Chlorophenyl)-1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
Basic information
- CAS
60579-42-2- Standard SMILES
Clc1ccc(C2N3Cc4ccccc4CN2c2ccccc23)cc1- InChIKey
DPYPESDLIJRPDN-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.1080262
Names & identifiers
- Preferred name
- 17-(4-Chlorophenyl)-1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
- IUPAC
- 17-(4-chlorophenyl)-1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
Names & synonyms
NSC29256860579-42-2DTXSID50330662NSC-29256813-(4-Chlorophenyl)-6,11-dihydro-5,12-methanodibenzo[b,f][1,4]diazocine
Database identifiers
- CAS
60579-42-2- PubChem CID
- 431379
- DTXSID
DTXSID50330662
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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