Molecule

ID:126630

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₇ClN₄O
Molecular Mass
481.07258
Exact Mass
480.2655895
Charge
0
InChI
InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
InChIKey
QAZKXHSIKKNOHH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)N(CCCN1CCC(CC1)(C(=O)N)N1CCCCC1)c1ccccc1CC2
Isomeric Smiles
Clc1ccc2c(c1)N(c1ccccc1CC2)CCCN1CCC(C(=O)N)(N2CCCCC2)CC1
Calculated Properties
JChem
Acid pKa
16.196196
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.10537932
LogD (pH = 7.4)
2.7858672
Log P
4.6589737
Molar Refractivity
140.9501
Polarizability
54.3077
Polar Surface Area
52.81
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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