Molecule

ID:72305

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉N₃O₄S
Molecular Mass
373.42616
Exact Mass
373.1096271
Charge
0
InChI
InChI=1S/C18H19N3O4S/c19-26(24,25)15-8-6-13(7-9-15)10-11-20-16-12-17(22)21(18(16)23)14-4-2-1-3-5-14/h1-9,16,20H,10-12H2,(H2,19,24,25)
InChIKey
PCZMDRVHMOCOJG-UHFFFAOYSA-N
Canonic Smiles
O=C1C(NCCc2ccc(cc2)S(=O)(=O)N)CC(=O)N1c1ccccc1
Isomeric Smiles
C1C(=O)N(C(=O)C1NCCc1ccc(cc1)S(=O)(=O)N)c1ccccc1
Calculated Properties
JChem
Acid pKa
10.406607
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.4721749
LogD (pH = 7.4)
0.25648436
Log P
1.1178682
Molar Refractivity
96.2515
Polarizability
38.25667
Polar Surface Area
109.57
Rotatable Bonds
6
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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