Basic information
- CAS
132521-94-9- Standard SMILES
CN1C(=O)C(NC(=O)c2cc3cccc4c3n2CCC4)N=C(c2ccccc2)c2ccccc21- InChIKey
CZPILLBHPRAPCB-UHFFFAOYSA-N- Molecular formula
- C28H24N4O2
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.18992602
Names & identifiers
- Preferred name
- n-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl)-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxamide
- IUPAC
- N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
Names & synonyms
n-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl)-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxamideDTXSID00869912132521-94-9L001452
Database identifiers
- CAS
132521-94-9- PubChem CID
- 65993
- DTXSID
DTXSID00869912
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 821
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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