Delavirdine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 14
Total Number of Articles : 21
PubChem 5625
Molecular Formula

C22H28N6O3S

SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C

InChI

InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3

synonyms
  • Delavirdine
  • 136817-59-9
  • Rescriptor
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Properties
Property Value
MW 456.6 g/mol
HBD 3
HBA 7
Rotatable Bond Count 6
Exact Mass 456.19435995 g/mol
Monoisotopic Mass 456.19435995 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 749
xlogp 2.4
Topological Polar Surface Area 119