Molecule

ID:82011

General Information
Structure
Molecular Formula
C₂₄H₂₅N₃S
Molecular Mass
387.5404
Exact Mass
387.17691882
Charge
0
InChI
InChI=1S/C24H25N3S/c1-26(2)22-13-7-19(8-14-22)24(18-5-11-21(12-6-18)25-17-28)20-9-15-23(16-10-20)27(3)4/h5-16,24H,1-4H3
InChIKey
FQRPHJQHZAOGGT-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Isomeric Smiles
N(=C=S)c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.540531
LogD (pH = 7.4)
6.7212033
Log P
6.723776
Molar Refractivity
126.3589
Polarizability
46.70506
Polar Surface Area
18.84
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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