DASABUVIR SODIUM

Search structure
Status: Approved (2014)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R2M8F5TK9T

Structure
InChI Key SJHKKWUESHNTBB-UHFFFAOYSA-M
Smile COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[n-]c2=O)cc1C(C)(C)C.O.[Na+]
InChI
InChI=1S/C26H27N3O5S.Na.H2O/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;;/h6-15,28H,1-5H3,(H,27,30,31);;1H2/q;+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28N3NaO6S
Molecular Weight 533.58
AlogP 4.02
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 110.26
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 35.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3544985
FDA SRS R2M8F5TK9T
CONTENTS