Molecule

ID:59795

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₅S
Molecular Mass
368.44786
Exact Mass
368.14059288
Charge
0
InChI
InChI=1S/C17H24N2O5S/c1-12(2)15(17(21)22)18-16(20)13-8-10-19(11-9-13)25(23,24)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H,18,20)(H,21,22)/t15-/m0/s1
InChIKey
XPALVGDASHJIDW-HNNXBMFYSA-N
Canonic Smiles
CC([C@@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)C
Isomeric Smiles
S(=O)(=O)(N1CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.4326644
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.6057208
LogD (pH = 7.4)
-1.9437449
Log P
1.4507155
Molar Refractivity
92.6842
Polarizability
36.92753
Polar Surface Area
103.78
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation