E 4031

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 26
Total Number of Articles : 90
PubChem 3185
Molecular Formula

C21H27N3O3S

SMILES

CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3

synonyms
  • E-4031
  • E 4031
  • E4031
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Properties
Property Value
MW 401.5 g/mol
HBD 1
HBA 6
Rotatable Bond Count 7
Exact Mass 401.17731291 g/mol
Monoisotopic Mass 401.17731291 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 603
xlogp 2.4
Topological Polar Surface Area 87.8