Molecule

ID:130253

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₄S
Molecular Mass
378.48574
Exact Mass
378.16132832
Charge
0
InChI
InChI=1S/C19H26N2O4S/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25/h4-11,18,20-23H,12-13H2,1-3H3
InChIKey
XJBCFFLVLOPYBV-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(c(c1)NS(=O)(=O)C)O)CNC(Cc1ccccc1)(C)C
Isomeric Smiles
O=S(=O)(Nc1cc(ccc1O)C(O)CNC(C)(C)Cc1ccccc1)C
Calculated Properties
JChem
Acid pKa
7.856915
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-0.6814618
LogD (pH = 7.4)
0.707841
Log P
0.9850197
Molar Refractivity
102.3572
Polarizability
40.78793
Polar Surface Area
98.66
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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