Molecule

ID:128683

General Information
Structure
MolImage
Molecular Formula
C₃₈H₆₀N₂O₅
Molecular Mass
624.8934
Exact Mass
624.45022303
Charge
0
InChI
InChI=1S/C38H60N2O5/c1-26(2)40(27(3)4)18-12-14-35(42)44-32-24-29(37(6,7)17-11-10-13-34(41)39-19-21-43-22-20-39)25-33-36(32)30-23-28(5)15-16-31(30)38(8,9)45-33/h15,24-27,30-31H,10-14,16-23H2,1-9H3
InChIKey
OAFUHIZKKMQSAB-UHFFFAOYSA-N
Canonic Smiles
CC1=CCC2C(C1)c1c(OC(=O)CCCN(C(C)C)C(C)C)cc(cc1OC2(C)C)C(CCCCC(=O)N1CCOCC1)(C)C
Isomeric Smiles
CC(C)N(C(C)C)CCCC(=O)Oc1c2C3CC(=CCC3C(Oc2cc(c1)C(C)(C)CCCCC(=O)N1CCOCC1)(C)C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.4751549
LogD (pH = 7.4)
4.196656
Log P
6.952224
Molar Refractivity
183.0834
Polarizability
71.5237
Polar Surface Area
68.31
Rotatable Bonds
14
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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