Molecule

ID:67699

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁BrN₂O₄
Molecular Mass
373.24224
Exact Mass
372.06846916
Charge
0
InChI
InChI=1S/C15H21BrN2O4/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)11-9-10(16)7-8-17-11/h7-9H,1-6H3
InChIKey
CNKRGILVFOHONI-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1nccc(c1)Br)C(=O)OC(C)(C)C)OC(C)(C)C
Isomeric Smiles
c1(cc(ccn1)Br)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.3319936
LogD (pH = 7.4)
4.3319936
Log P
4.3319936
Molar Refractivity
85.3439
Polarizability
33.408607
Polar Surface Area
68.73
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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