Molecule

ID:62344

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄ClN₃OS
Molecular Mass
353.90996
Exact Mass
353.13286108
Charge
0
InChI
InChI=1S/C17H23N3OS.ClH/c1-20(2)17(21)15-14(12-7-5-11(10-18)6-8-12)13-4-3-9-19-16(13)22-15;/h3-4,9,11-12H,5-8,10,18H2,1-2H3;1H
InChIKey
DAPOFVHEYSQWIQ-UHFFFAOYSA-N
Canonic Smiles
NCC1CCC(CC1)c1c(sc2c1cccn2)C(=O)N(C)C.Cl
Isomeric Smiles
c1(sc2c(c1C1CCC(CC1)CN)cccn2)C(=O)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6584302
LogD (pH = 7.4)
-0.24747472
Log P
2.3658938
Molar Refractivity
90.0991
Polarizability
35.07164
Polar Surface Area
59.22
Rotatable Bonds
3
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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