Molecule

ID:62149

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₀N₄O₃
Molecular Mass
434.5307
Exact Mass
434.23179084
Charge
0
InChI
InChI=1S/C25H30N4O3/c1-28(16-19-7-5-11-26-14-19)18-24(30)29-12-6-9-21(17-29)25-27-15-22(32-25)13-20-8-3-4-10-23(20)31-2/h3-5,7-8,10-11,14-15,21H,6,9,12-13,16-18H2,1-2H3
InChIKey
RGMWJXFFYIJTSL-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Cc1cnc(o1)C1CCCN(C1)C(=O)CN(Cc1cccnc1)C
Isomeric Smiles
c1(ncc(o1)Cc1c(OC)cccc1)C1CN(C(=O)CN(Cc2cnccc2)C)CCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.7466421
LogD (pH = 7.4)
1.9191402
Log P
2.0041451
Molar Refractivity
123.1682
Polarizability
47.453262
Polar Surface Area
71.7
Rotatable Bonds
8
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