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DM175

CAT: 0013-GTR19211352-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211352-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DM175
CAS Number
832119-34-3
Smiles
C (NC1=CC=C (C (O) =O) C=C1) (=O) C2=C (NC (=O) C3=CC=C (C (C) (C) C) C=C3) C=CC=C2
Molecular Formula
C25H24N2O4
Molecular Weight
416.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-({2-[(4-Tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
CAS Number832119-34-3
PubChem CID1255603
IUPAC Name4-[[2-[(4-tert-butylbenzoyl)amino]benzoyl]amino]benzoic acid
Molecular FormulaC25H24N2O4
Molecular Weight416.5
XLogP5.3
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity640
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C25H24N2O4/c1-25(2,3)18-12-8-16(9-13-18)22(28)27-21-7-5-4-6-20(21)23(29)26-19-14-10-17(11-15-19)24(30)31/h4-15H,1-3H3,(H,26,29)(H,27,28)(H,30,31)
InChIKey
JNIQPWWGQWIPLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-({2-[(4-Tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid
CAS: 832119-34-3
CID: 1255603
Formula: C25H24N2O4
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass416.17360725
Monoisotopic Mass416.17360725
Topological Polar Surface Area95.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity640
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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