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(Rac) -Nedisertib 100mg

CAT: 0628-A21383-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A21383-100Size:100 mg
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CAS Number
1637542-34-7

Chemical Information

(Rac)-Nedisertib
CAS Number1637542-34-7
PubChem CID117696445
IUPAC Name[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
Molecular FormulaC24H21ClFN5O3
Molecular Weight481.9
XLogP2.8
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity662
SMILES
COC1=NN=C(C=C1)C(C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O
InChI
InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3
InChIKey
MOWXJLUYGFNTAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Rac)-Nedisertib
CAS: 1637542-34-7
CID: 117696445
Formula: C24H21ClFN5O3
MW: 481.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.9
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass481.1316954
Monoisotopic Mass481.1316954
Topological Polar Surface Area93.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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