12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol
Basic information
- CAS
71007-75-5- Standard SMILES
COc1cc2c(cc1O)-c1c(cnn1-c1ccc([N+](=O)[O-])cc1)CCC2- InChIKey
JRBOEBVEVHDCDD-UHFFFAOYSA-N- Molecular formula
- C19H17N3O4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.12190603
Names & identifiers
- Preferred name
- 12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol
- IUPAC
- 12-methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol
Names & synonyms
NSC27127171007-75-5CHEMBL1999358DTXSID30313514NSC-2712718-Methoxy-1-(4-nitrophenyl)-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-9-ol
Database identifiers
- CAS
71007-75-5- PubChem CID
- 321301
- DTXSID
DTXSID30313514- ChEMBL
CHEMBL1999358
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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