9-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline
Basic information
- CAS
6769-74-0- Standard SMILES
Cc1ccc(C=C2CCCC3=C2Nc2nnnn2C3c2ccc(C)cc2)cc1- InChIKey
HKBHKDPLNYXADO-UHFFFAOYSA-N- Molecular formula
- C23H23N5
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.19534575
Names & identifiers
- Preferred name
- 9-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline
- IUPAC
- 9-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline
Names & synonyms
ChemDiv3_0139456769-74-0DTXSID80425095EU-00988459-(4-Methylphenyl)-5-[(4-methylphenyl)methylidene]-1,5,6,7,8,9-hexahydrotetrazolo[5,1-b]quinazoline
Database identifiers
- CAS
6769-74-0- PubChem CID
- 5220201
- DTXSID
DTXSID80425095
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 625
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Compound notes
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