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AZD2716

CAT: 0926-VYC75381-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-VYC75381-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1845753-81-2
Smiles
CC (CC1=CC (=CC=C1) C2=C (C=CC (=C2) CC3=CC=CC=C3) C (=O) N) C (=O) O
Molecular Formula
C24H23NO3
Molecular Weight
373.4 g/mol
Controlled
No

Chemical Information

3-[3-(5-Benzyl-2-carbamoyl-phenyl)phenyl]-2-methyl-propanoic acid
CAS Number1845753-81-2
PubChem CID129909859
IUPAC Name(2R)-3-[3-(5-benzyl-2-carbamoylphenyl)phenyl]-2-methylpropanoic acid
Molecular FormulaC24H23NO3
Molecular Weight373.4
XLogP4.7
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity528
SMILES
C[C@H](CC1=CC(=CC=C1)C2=C(C=CC(=C2)CC3=CC=CC=C3)C(=O)N)C(=O)O
InChI
InChI=1S/C24H23NO3/c1-16(24(27)28)12-18-8-5-9-20(14-18)22-15-19(10-11-21(22)23(25)26)13-17-6-3-2-4-7-17/h2-11,14-16H,12-13H2,1H3,(H2,25,26)(H,27,28)/t16-/m1/s1
InChIKey
PXRCDPVYRPKGGI-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of 3-[3-(5-Benzyl-2-carbamoyl-phenyl)phenyl]-2-methyl-propanoic acid
CAS: 1845753-81-2
CID: 129909859
Formula: C24H23NO3
MW: 373.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.4
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass373.16779360
Monoisotopic Mass373.16779360
Topological Polar Surface Area80.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity528
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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