Molecule

ID:5667

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁N₃O₃S
Molecular Mass
371.45334
Exact Mass
371.13036255
Charge
0
InChI
InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
InChIKey
LOGJQOUIVKBFGH-YBEGLDIGSA-N
Canonic Smiles
O=C1Nc2c(/C/1=C/c1cc3c([nH]1)CCCC3)cc(cc2)S(=O)(=O)N(C)C
Isomeric Smiles
CN(C)S(=O)(=O)c1cc2c(cc1)NC(=O)/C/2=C\c1cc2CCCCc2[nH]1
Calculated Properties
JChem
LogD (pH = 7.4)
2.53
LogD (pH = 5.5)
2.53
Log P
2.53
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
10.52
Polar Surface Area
82.27
Polarizability
40.97
Molar Refractivity
103.83
LOG S
-4.32
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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