11-phenyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
Basic information
- CAS
99912-18-2- Standard SMILES
c1ccc(-c2c3n(c4ccccc24)CCNCC3)cc1- InChIKey
AYQLHFULDILLPU-UHFFFAOYSA-N- Molecular formula
- C18H18N2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.14699858
Names & identifiers
- Preferred name
- 11-phenyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
- IUPAC
- 11-phenyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole
Names & synonyms
SCHEMBL10732722DTXSID20118866111-phenyl-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole2,3,4,5-Tetrahydro-11-phenyl-1H-[1,4]diazepino[1,7-a]indole99912-18-2
Database identifiers
- CAS
99912-18-2- PubChem CID
- 14210366
- DTXSID
DTXSID201188661
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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