Molecule

ID:62272

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇ClN₂OS
Molecular Mass
366.94848
Exact Mass
366.15326217
Charge
0
InChI
InChI=1S/C19H26N2OS.ClH/c1-12(2)21-19(22)18-17(14-9-7-13(11-20)8-10-14)15-5-3-4-6-16(15)23-18;/h3-6,12-14H,7-11,20H2,1-2H3,(H,21,22);1H/t13-,14-;
InChIKey
JJGUKILYJYDZTQ-SKKCDYJJSA-N
Canonic Smiles
NC[C@@H]1CC[C@H](CC1)c1c(sc2c1cccc2)C(=O)NC(C)C.Cl
Isomeric Smiles
c1(sc2c(c1[C@@H]1CC[C@H](CC1)CN)cccc2)C(=O)NC(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.073723
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.74152184
LogD (pH = 7.4)
1.1524435
Log P
3.765811
Molar Refractivity
96.5741
Polarizability
38.48992
Polar Surface Area
55.12
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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