Basic information
- Standard SMILES
CCOC(=O)/C(=C/c1ccc(-n2cnc(C)c2)c(OC)c1)CCCNCc1cccc(F)c1- InChIKey
DKVVVRSFCCSUCD-LPYMAVHISA-N- Molecular formula
- C26H30FN3O3
- Average molar mass
- 451.5 g/mol
Names & identifiers
- Preferred name
- (E)-5-(3-fluorobenzylamino)-2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)valeric acid ethyl ester
- IUPAC
- ethyl (2E)-5-[(3-fluorophenyl)methylamino]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoate
Names & synonyms
(E)-5-(3-fluorobenzylamino)-2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)valeric acid ethyl ester(E)-5-(3-fluorobenzylamino)-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]valeric acid ethyl esterSCHEMBL1237612DKVVVRSFCCSUCD-LPYMAVHISA-N
Database identifiers
- PubChem CID
- 66960249
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 632
Related reactions
6 records
Compound notes
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