Basic information
- Standard SMILES
CCCC(NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)CC(=O)OC)cn1- InChIKey
MTPJSASWUNHJJZ-UHFFFAOYSA-N- Molecular formula
- C23H30F2N4O3
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.22859716
Names & identifiers
- Preferred name
- 3-{4-[2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoylamino]-imidazol-1-yl}-butyric acid methyl ester
- IUPAC
- methyl 3-[4-[2-[(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoylamino]imidazol-1-yl]butanoate
Names & synonyms
SCHEMBL1799412MTPJSASWUNHJJZ-UHFFFAOYSA-N3-{4-[2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoylamino]-imidazol-1-yl}-butyric acid methyl ester
Database identifiers
- PubChem CID
- 11655289
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 640
Related reactions
4 records
Compound notes
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