Molecule

ID:125991

General Information
Structure
MolImage
Molecular Formula
C₂₇H₃₂N₄O₃S₂
Molecular Mass
524.69798
Exact Mass
524.1915829
Charge
0
InChI
InChI=1S/C27H32N4O3S2/c1-3-34-23-13-11-21(28-18-23)16-26-29-24-17-22(30(2)36(32,33)27-10-7-15-35-27)12-14-25(24)31(26)19-20-8-5-4-6-9-20/h7,10-15,17-18,20H,3-6,8-9,16,19H2,1-2H3
InChIKey
YIEVWZCZMDYKQH-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(nc1)Cc1nc2c(n1CC1CCCCC1)ccc(c2)N(S(=O)(=O)c1cccs1)C
Isomeric Smiles
c1ccsc1S(=O)(=O)N(C)c1ccc2c(c1)nc(Cc1ccc(cn1)OCC)n2CC1CCCCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.964567
LogD (pH = 7.4)
5.5611997
Log P
5.579962
Molar Refractivity
141.4503
Polarizability
56.91869
Polar Surface Area
77.32
Rotatable Bonds
8
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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