Molecule

ID:54096

General Information
Structure
Molecular Formula
C₂₀H₂₇N₃O₄
Molecular Mass
373.44608
Exact Mass
373.20015636
Charge
0
InChI
InChI=1S/C20H27N3O4/c1-20(2,3)27-19(26)22-13-11-21(12-14-22)9-6-10-23-17(24)15-7-4-5-8-16(15)18(23)25/h4-5,7-8H,6,9-14H2,1-3H3
InChIKey
QMHODGIAXJQWCY-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)CCCN1C(=O)c2c(C1=O)cccc2)OC(C)(C)C
Isomeric Smiles
O=C1N(C(=O)c2c1cccc2)CCCN1CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.6118687
LogD (pH = 7.4)
1.6791534
Log P
1.7429681
Molar Refractivity
102.8465
Polarizability
38.95757
Polar Surface Area
70.16
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
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Molecule Details
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References
Bioactivity
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