Basic information
- Standard SMILES
O=C(Nc1cccc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1)c1ccc2cc3n(c2c1)CCCNC3=O- InChIKey
NSPIQDAAMAJSOC-UHFFFAOYSA-N- Molecular formula
- C41H33N5O2
- Average molar mass
- 627.7 g/mol
Names & identifiers
- Preferred name
- 1-oxo-N-[3-(1-trityl-1H-imidazol-4-yl)phenyl]-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole-8-carboxamide
- IUPAC
- 1-oxo-N-[3-(1-tritylimidazol-4-yl)phenyl]-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
Names & synonyms
SCHEMBL12598791NSPIQDAAMAJSOC-UHFFFAOYSA-N1-oxo-N-[3-(1-trityl-1H-imidazol-4-yl)phenyl]-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole-8-carboxamide
Database identifiers
- PubChem CID
- 68323554
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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