Molecule

ID:59796

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₅S
Molecular Mass
368.44786
Exact Mass
368.14059288
Charge
0
InChI
InChI=1S/C17H24N2O5S/c1-12(2)15(17(21)22)18-16(20)13-7-6-10-19(11-13)25(23,24)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H,18,20)(H,21,22)/t13?,15-/m0/s1
InChIKey
DTQMXDHNGOJCJQ-WUJWULDRSA-N
Canonic Smiles
CC([C@@H](C(=O)O)NC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1)C
Isomeric Smiles
S(=O)(=O)(N1CC(C(=O)N[C@H](C(=O)O)C(C)C)CCC1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.2888935
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.58682
LogD (pH = 7.4)
-1.821818
Log P
1.606623
Molar Refractivity
92.5302
Polarizability
36.927525
Polar Surface Area
103.78
Rotatable Bonds
5
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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