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BAY-899

CAT: 0926-WYD96792-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-WYD96792-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2471967-92-5
Smiles
CC1=CC=C (C=C1) C (C2=CC3=C (C=C2NS (=O) (=O) C4=CC=C (C=C4) C) OCCO3) O
Molecular Formula
C25H19F2N5O2
Molecular Weight
459.4 g/mol
Controlled
No

Chemical Information

(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CAS Number2471967-92-5
PubChem CID139600336
IUPAC Name(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
Molecular FormulaC25H19F2N5O2
Molecular Weight459.4
XLogP3.6
Topological Polar Surface Area80.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity664
SMILES
C1CN([C@H](C2=C1N=CC=C2)C3=CC=C(C=C3)F)C(=O)NC4=CN=C(N=C4)OC5=CC=C(C=C5)F
InChI
InChI=1S/C25H19F2N5O2/c26-17-5-3-16(4-6-17)23-21-2-1-12-28-22(21)11-13-32(23)25(33)31-19-14-29-24(30-15-19)34-20-9-7-18(27)8-10-20/h1-10,12,14-15,23H,11,13H2,(H,31,33)/t23-/m0/s1
InChIKey
VKQBTIMLSDGNLG-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of (5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CAS: 2471967-92-5
CID: 139600336
Formula: C25H19F2N5O2
MW: 459.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass459.15068119
Monoisotopic Mass459.15068119
Topological Polar Surface Area80.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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