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Fosravuconazole

CAT: 0926-BPA22764-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BPA22764-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
351227-64-0
Smiles
CC (C1=NC (=CS1) C2=CC=C (C=C2) C#N) C (CN3C=NC=N3) (C4=C (C=C (C=C4) F) F) OCOP (=O) (O) O
Molecular Formula
C23H20F2N5O5PS
Molecular Weight
547.5 g/mol
Controlled
No

Chemical Information

4-(2-((1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile

BMS 379224 is an amine.

CAS Number351227-64-0
PubChem CID9807507
IUPAC Name[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl dihydrogen phosphate
Molecular FormulaC23H20F2N5O5PS
Molecular Weight547.5
XLogP2.4
Topological Polar Surface Area172
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity859
SMILES
C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OCOP(=O)(O)O
InChI
InChI=1S/C23H20F2N5O5PS/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33)/t15-,23+/m0/s1
InChIKey
SYTNEMZCCLUTNX-NPMXOYFQSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-((1R,2R)-2-(2,4-Difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1H-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile
CAS: 351227-64-0
CID: 9807507
Formula: C23H20F2N5O5PS
MW: 547.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass547.08908325
Monoisotopic Mass547.08908325
Topological Polar Surface Area172 Ų
Heavy Atom Count37
Formal Charge0
Complexity859
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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