Molecule

ID:5661

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂S₂
Molecular Mass
376.53606
Exact Mass
376.12792002
Charge
0
InChI
InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKey
UQKSYQYWUHUIEH-GFCCVEGCSA-N
Canonic Smiles
CCN(C(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@H](C)CC2)CC
Isomeric Smiles
O=C(c1sccc1)Nc1sc2c(C[C@H](C)CC2)c1C(=O)N(CC)CC
Calculated Properties
JChem
Acid pKa
7.9010777
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.4561353
LogD (pH = 7.4)
5.3454714
Log P
5.457771
Molar Refractivity
105.085
Polarizability
38.826984
Polar Surface Area
49.41
Rotatable Bonds
5
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
4.01
LOG S
-4.15
Solubility (Water)
2.68e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation