(2-Isopropoxy-5-methanesulfonyl-phenyl)-(2-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone

HCID 57445255
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Basic information

Standard SMILES
CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCc2nc(C(F)(F)F)ccc2C1
InChIKey
YTXTZURCLDYQPL-UHFFFAOYSA-N
Molecular formula
C20H21F3N2O4S
Average molar mass
442.5 g/mol

Names & identifiers

Preferred name
(2-Isopropoxy-5-methanesulfonyl-phenyl)-(2-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone
IUPAC
(5-methylsulfonyl-2-propan-2-yloxyphenyl)-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

Names & synonyms

(2-Isopropoxy-5-methanesulfonyl-phenyl)-(2-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanoneSCHEMBL3875256

Database identifiers

PubChem CID
57445255

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
85 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
30

Related reactions

2 records
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Compound notes

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