Basic information
- CAS
76896-26-9- Standard SMILES
O=C1N2CCNc3ccccc3C(c3ccccc3)N1CC2- InChIKey
RHKPCZPSRMHZPT-UHFFFAOYSA-N- Molecular formula
- C18H19N3O
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.15281224
Names & identifiers
- Preferred name
- 8-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-one
- IUPAC
- 2-phenyl-1,9,12-triazatricyclo[10.2.1.03,8]pentadeca-3,5,7-trien-15-one
Names & synonyms
76896-26-9NSC354657NSC 3546578-Phenyl-1,2,3,5,6,8-hexahydro-4,7-methano-1,4,7-benzotriazecin-13-oneNSC-354657MK8J9CQ5V8CHEMBL3387181,2,3,5,6,8-Hexahydro-8-phenyl-4,7-methano-1,4,7-benzotriazecin-13-one4,7-Methano-1,4,7-benzotriazecin-13-one, 1,2,3,5,6,8-hexahydro-8-phenyl-
Database identifiers
- CAS
76896-26-9- PubChem CID
- 337281
- ChEMBL
CHEMBL338718- UNII
- MK8J9CQ5V8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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