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CFTR corrector 2

CAT: 0926-DQC41628-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-DQC41628-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628416-28-3
Smiles
CCOC1=CC2=C (C=C1) C (=NN (C2=O) CC (=O) N (C) C3=CC4=C (C=C3) N=C (O4) C) C5=CC (=CC=C5) F
Molecular Formula
C27H23FN4O4
Molecular Weight
486.49 g/mol
Controlled
No

Chemical Information

Fdl169
CAS Number1628416-28-3
PubChem CID86298861
IUPAC Name2-[7-ethoxy-4-(3-fluorophenyl)-1-oxophthalazin-2-yl]-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
Molecular FormulaC27H23FN4O4
Molecular Weight486.5
XLogP4.6
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity856
SMILES
CCOC1=CC2=C(C=C1)C(=NN(C2=O)CC(=O)N(C)C3=CC4=C(C=C3)N=C(O4)C)C5=CC(=CC=C5)F
InChI
InChI=1S/C27H23FN4O4/c1-4-35-20-9-10-21-22(14-20)27(34)32(30-26(21)17-6-5-7-18(28)12-17)15-25(33)31(3)19-8-11-23-24(13-19)36-16(2)29-23/h5-14H,4,15H2,1-3H3
InChIKey
XRPSUWYWZUQALB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fdl169
CAS: 1628416-28-3
CID: 86298861
Formula: C27H23FN4O4
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass486.17033339
Monoisotopic Mass486.17033339
Topological Polar Surface Area88.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity856
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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