Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1cc(C(=O)OC2CCC(N=C(N)N)CC2)cc(OC)c1OC- InChIKey
YFECKBXLIMYDIU-UHFFFAOYSA-N- Molecular formula
- C17H25N3O5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.17942091
Names & identifiers
- Preferred name
- [4-(Diaminomethylideneamino)cyclohexyl] 3,4,5-trimethoxybenzoate
- IUPAC
- [4-(diaminomethylideneamino)cyclohexyl] 3,4,5-trimethoxybenzoate
Database identifiers
- PubChem CID
- 53202
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…