Basic information
- CAS
73606-94-7- Standard SMILES
Cc1cc2cc3c4c(nn5cnnc5c4c2o1)-c1ccccc1CC3- InChIKey
SPEGHDNOJPGJJU-UHFFFAOYSA-N- Molecular formula
- C20H14N4O
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.11676108
Names & identifiers
- Preferred name
- 5-Methyl-8,9-dihydrobenzo[6,7]cyclohepta[1,2,3-de]furo[3,2-h][1,2,4]triazolo[3,4-a]phthalazine
- IUPAC
- 5-methyl-6-oxa-10,11,13,14-tetrazahexacyclo[13.8.1.03,7.08,24.09,13.016,21]tetracosa-1(24),2,4,7,9,11,14,16,18,20-decaene
Names & synonyms
NSC34485173606-94-75-Methyl-8,9-dihydrobenzo[6,7]cyclohepta[1,2,3-de]furo[3,2-h][1,2,4]triazolo[3,4-a]phthalazineDTXSID10319397NSC-344851
Database identifiers
- CAS
73606-94-7- PubChem CID
- 335447
- DTXSID
DTXSID10319397
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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