1-N,4-N-bis(1,3-benzodioxol-5-ylmethylideneamino)phthalazine-1,4-diamine
Basic information
- CAS
27704-20-7- Standard SMILES
C(=NNc1nnc(NN=Cc2ccc3c(c2)OCO3)c2ccccc12)c1ccc2c(c1)OCO2- InChIKey
BPNMIZMKXIHORY-UHFFFAOYSA-N- Molecular formula
- C24H18N6O4
- Average molar mass
- 454.4 g/mol
- Monoisotopic mass
- 454.13895308
Names & identifiers
- Preferred name
- 1-N,4-N-bis(1,3-benzodioxol-5-ylmethylideneamino)phthalazine-1,4-diamine
- IUPAC
- 1-N,4-N-bis(1,3-benzodioxol-5-ylmethylideneamino)phthalazine-1,4-diamine
Names & synonyms
27704-20-7DTXSID309504081,4-Bis{[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinylidene}-1,2,3,4-tetrahydrophthalazine
Database identifiers
- CAS
27704-20-7- PubChem CID
- 266264
- DTXSID
DTXSID30950408
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 680
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Compound notes
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