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TFC 007

CAT: 0926-CMB87849-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-CMB87849-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
927878-49-7
Smiles
C1CN (CCC1C (=O) N2CCOCC2) C3=CC=C (C=C3) NC (=O) C4=CN=C (N=C4) OC5=CC=CC=C5
Molecular Formula
C27H29N5O4
Molecular Weight
487.5 g/mol
Controlled
No

Chemical Information

Tfc007
CAS Number927878-49-7
PubChem CID16040067
IUPAC NameN-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]-2-phenoxypyrimidine-5-carboxamide
Molecular FormulaC27H29N5O4
Molecular Weight487.5
XLogP2.6
Topological Polar Surface Area96.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity703
SMILES
C1CN(CCC1C(=O)N2CCOCC2)C3=CC=C(C=C3)NC(=O)C4=CN=C(N=C4)OC5=CC=CC=C5
InChI
InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33)
InChIKey
NLSSUSRERAMBTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tfc007
CAS: 927878-49-7
CID: 16040067
Formula: C27H29N5O4
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass487.22195442
Monoisotopic Mass487.22195442
Topological Polar Surface Area96.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity703
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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