Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(=O)O.COC(=O)C(C)(C)COc1ccc(-c2ccc(C(=N)N)cn2)cc1- InChIKey
MITYBWWRHJAEGI-UHFFFAOYSA-N- Molecular formula
- C20H25N3O5
- Average molar mass
- 387.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(4-{5-[amino(imino)methyl]pyridin-2-yl}phenoxy)-2,2-dimethylpropanoate acetate
- IUPAC
- acetic acid;methyl 3-[4-(5-carbamimidoyl-2-pyridinyl)phenoxy]-2,2-dimethylpropanoate
Names & synonyms
SCHEMBL9935925MITYBWWRHJAEGI-UHFFFAOYSA-Nmethyl 3-(4-{5-[amino (imino)methyl]pyridin-2-yl) phenoxy)-2,2-dimethylpropanoate acetatemethyl 3-(4-{5-[amino(imino)methyl]pyridin-2-yl}-phenoxy)-2,2-dimethylpropanoate acetatemethyl 3-(4-{5-[amino(imino)methyl]pyridin-2-yl}phenoxy)-2,2-dimethylpropanoate acetate
Database identifiers
- PubChem CID
- 67973181
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 476
Related reactions
4 records
Compound notes
Loading…