Molecule

ID:127542

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₄S
Molecular Mass
378.48574
Exact Mass
378.16132832
Charge
0
InChI
InChI=1S/C19H26N2O4S/c1-19(2)10-6-9-14(18(25)21(19)12-16(22)23)20-17(24)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,24)(H,22,23)/t14-,15-/m0/s1
InChIKey
YRSVDSQRGBYVIY-GJZGRUSLSA-N
Canonic Smiles
S[C@H](C(=O)N[C@H]1CCCC(N(C1=O)CC(=O)O)(C)C)Cc1ccccc1
Isomeric Smiles
O=C1N(CC(=O)O)C(CCC[C@@H]1NC(=O)[C@@H](S)Cc1ccccc1)(C)C
Calculated Properties
JChem
Acid pKa
3.9679255
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.46052986
LogD (pH = 7.4)
-1.1815568
Log P
2.000894
Molar Refractivity
101.0338
Polarizability
39.555058
Polar Surface Area
86.71
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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