Molecule

ID:2275

General Information
Structure
MolImage
Molecular Formula
C₃₂H₃₂N₂O₃
Molecular Mass
492.60808
Exact Mass
492.24129289
Charge
0
InChI
InChI=1S/C32H32N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h4-13,15-20,22H,14,21,23H2,1-3H3
InChIKey
DOZHIHFHDOVTNY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCc1cccc(c1)N(C(=O)c1ccccc1)Cc1ccc(cc1)c1ccc(cc1)N(C)C
Isomeric Smiles
COC(=O)CCc1cccc(c1)N(Cc1ccc(cc1)c1ccc(cc1)N(C)C)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.5543723
LogD (pH = 7.4)
6.6360035
Log P
6.63715
Molar Refractivity
149.5625
Polarizability
58.33202
Polar Surface Area
49.85
Rotatable Bonds
10
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
5.96
LOG S
-6.5
Solubility (Water)
1.55e-04 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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