Basic information
- Standard SMILES
O=C(c1ccc(C2CCCCC2)cc1)N1Cc2cccn2Cc2ncccc21- InChIKey
NZERRSMQCSAEEW-UHFFFAOYSA-N- Molecular formula
- C24H25N3O
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.19976243
Names & identifiers
- Preferred name
- (4-Cyclohexyl-phenyl)-(4H,10H-3a,5,9-triaza-benzo[f]azulen-9-yl)-methanone
- IUPAC
- (4-cyclohexylphenyl)-(3,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaen-9-yl)methanone
Names & synonyms
SCHEMBL5124926NZERRSMQCSAEEW-UHFFFAOYSA-N(4-Cyclohexyl-phenyl)-(4H,10H-3a,5,9-triaza-benzo[f]azulen-9-yl)-methanone
Database identifiers
- PubChem CID
- 10156072
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 538
Related reactions
3 records
Compound notes
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