relcovaptan

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 22
Total Number of Articles : 52
PubChem 60943
Molecular Formula

C28H27Cl2N3O7S

SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2[C@H]([C@](C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCC[C@H]5C(=O)N)OC

InChI

InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1

synonyms
  • Relcovaptan
  • 150375-75-0
  • SR 49059
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Properties
Property Value
MW 620.5 g/mol
HBD 2
HBA 8
Rotatable Bond Count 7
Exact Mass 619.0946768 g/mol
Monoisotopic Mass 619.0946768 g/mol
Heavy Atom Count 41
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 1090
xlogp 3.8
Topological Polar Surface Area 148