DEUTIVACAFTOR

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Synonyms
Status
Molecule Category Free-form
UNII SHA6U5FJZL

Structure

InChI Key PURKAOJPTOLRMP-ASMGOKTBSA-N
Smiles [2H]C([2H])([2H])C(c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI
InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)/i4D3,5D3,6D3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28N2O3
Molecular Weight 401.55
AlogP 5.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 82.19
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297603
DrugBank DB15141
FDA SRS SHA6U5FJZL
PubChem 71470491
SureChEMBL SCHEMBL15504743
CONTENTS