ANAPRAZOLE

Search structure
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure
InChI Key JYSIFLQJDVIWKM-UHFFFAOYSA-N
Smile COCCCOc1cccc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OCC4)c1C
InChI
InChI=1S/C21H24N2O4S/c1-14-16(5-3-6-19(14)26-9-4-8-25-2)13-28(24)21-22-17-11-15-7-10-27-20(15)12-18(17)23-21/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24N2O4S
Molecular Weight 400.5
AlogP 3.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 73.44
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Cross References

Resources Reference
ChEMBL CHEMBL4651083
CONTENTS