Basic information
- Standard SMILES
CC(C)(C)n1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)n1- InChIKey
JLLYZLQGZOZUKO-UHFFFAOYSA-N- Molecular formula
- C19H19N5O2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.15387487
Names & identifiers
- Preferred name
- 9H-Xanthene-9-carboxylic acid (2-tert-butyl-2H-tetrazol-5-yl)-amide
- IUPAC
- N-(2-tert-butyltetrazol-5-yl)-9H-xanthene-9-carboxamide
Names & synonyms
JLLYZLQGZOZUKO-UHFFFAOYSA-N9H-Xanthene-9-carboxylic acid (2-tert-butyl-2H-tetrazol-5-yl)-amide
Database identifiers
- PubChem CID
- 10154830
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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