Molecule

ID:72353

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClN₄O₃S
Molecular Mass
368.83848
Exact Mass
368.0709891
Charge
0
InChI
InChI=1S/C15H17ClN4O3S/c1-9-8-10(2)18-15(17-9)20-24(22,23)13-6-4-12(5-7-13)19-14(21)11(3)16/h4-8,11H,1-3H3,(H,19,21)(H,17,18,20)
InChIKey
DHKFHTHGZNGJSY-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)C)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C
Isomeric Smiles
S(=O)(=O)(Nc1nc(cc(n1)C)C)c1ccc(NC(=O)C(Cl)C)cc1
Calculated Properties
JChem
Acid pKa
6.884211
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.8072003
LogD (pH = 7.4)
1.3293439
Log P
1.8227456
Molar Refractivity
92.7936
Polarizability
35.57812
Polar Surface Area
101.05
Rotatable Bonds
4
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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