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Basic information
- Standard SMILES
CC1(C)OC2COC3OC(C)(C)OC3(C=NNC(=O)c3cc4ccccc4[nH]3)C2O1- InChIKey
GHSQPBSXDHFYSL-UHFFFAOYSA-N- Molecular formula
- C21H25N3O6
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.17433553
Names & identifiers
- Preferred name
- N-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-2-yl)methylideneamino]-1H-indole-2-carboxamide
- IUPAC
- N-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-2-yl)methylideneamino]-1H-indole-2-carboxamide
Database identifiers
- PubChem CID
- 334469
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 728
Related reactions
0 records
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Compound notes
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