Basic information
- CAS
71007-73-3- Standard SMILES
COc1cc2c(cc1O)-c1c(cnn1-c1ccccc1)CCC2- InChIKey
VTRHVGSKONRGMY-UHFFFAOYSA-N- Molecular formula
- C19H18N2O2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.13682782
Names & identifiers
- Preferred name
- 12-Methoxy-3-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol
- IUPAC
- 12-methoxy-3-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol
Names & synonyms
NSC27127471007-73-3DTXSID50313516NSC-2712748-Methoxy-1-phenyl-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-9-ol
Database identifiers
- CAS
71007-73-3- PubChem CID
- 321304
- DTXSID
DTXSID50313516
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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