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Basic information
- Standard SMILES
CC(=O)O.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(N)c(CN)n2)c(OC)c1- InChIKey
NVOXJCNEGRDTKA-UHFFFAOYSA-N- Molecular formula
- C22H32N4O6
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- (5-Amino-6-aminomethyl-pyridin-2-yl)-(2,4-dimethoxy-benzyl)-carbamic acid tert-butyl ester acetate salt
- IUPAC
- acetic acid;tert-butyl N-[5-amino-6-(aminomethyl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]carbamate
Names & synonyms
SCHEMBL13732453NVOXJCNEGRDTKA-UHFFFAOYSA-N(5-amino-6-aminomethyl-pyridin-2-yl)-(2,4-dimethoxy-benzyl)-carbamic acid tert-butyl ester acetate salt
Database identifiers
- PubChem CID
- 70980366
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Compound notes
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