Basic information
- CAS
73606-95-8- Standard SMILES
Cc1cc2cc3c4c(nn5nnnc5c4c2o1)-c1ccccc1CC3- InChIKey
UXRGPBBEYHLJPP-UHFFFAOYSA-N- Molecular formula
- C19H13N5O
- Average molar mass
- 327.3 g/mol
- Monoisotopic mass
- 327.11201006
Names & identifiers
- Preferred name
- 5-Methyl-6-oxa-10,11,12,13,14-pentazahexacyclo[13.8.1.03,7.08,24.09,13.016,21]tetracosa-1(24),2,4,7,9,11,14,16,18,20-decaene
- IUPAC
- 5-methyl-6-oxa-10,11,12,13,14-pentazahexacyclo[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
NSC34485273606-95-85-Methyl-8,9-dihydrobenzo[6,7]cyclohepta[1,2,3-de]furo[3,2-h]tetrazolo[5,1-a]phthalazineDTXSID70319398NSC-344852
Database identifiers
- CAS
73606-95-8- PubChem CID
- 335448
- DTXSID
DTXSID70319398
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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