3-{4-[2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoylamino]-imidazol-1-yl}-butyric acid methyl ester

HCID 11655289

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

Related reactions

4 records

Compound notes

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