3-(4-methylphenyl)-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide
Basic information
- CAS
5541-55-9- Standard SMILES
Cc1ccc(C23CC4CC(CC(C(=O)Nc5nn[nH]n5)(C4)C2)C3)cc1- InChIKey
JAZYYAXZYOQQFL-UHFFFAOYSA-N- Molecular formula
- C19H23N5O
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.19026037
Names & identifiers
- Preferred name
- 3-(4-methylphenyl)-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide
- IUPAC
- 3-(4-methylphenyl)-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide
Names & synonyms
5541-55-93-(4-methylphenyl)-N-(2H-tetrazol-5-yl)adamantane-1-carboxamide3-(4-methylphenyl)-N-1H-tetrazol-5-yl-1-adamantanecarboxamideCBMicro_023151Oprea1_101289DTXSID70416917CCG-10678BIM-0023253.P001
Database identifiers
- CAS
5541-55-9- PubChem CID
- 5340486
- DTXSID
DTXSID70416917
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
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Compound notes
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