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GW 1929

CAT: 0024-sc-202640Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202640Size:1 mg
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CAS Number
196808-24-9

Chemical Information

GW 1929

GW 1929 is a member of benzophenones.

CAS Number196808-24-9
PubChem CID6518171
IUPAC Name(2S)-2-(2-benzoylanilino)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
Molecular FormulaC30H29N3O4
Molecular Weight495.6
XLogP6.4
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity705
SMILES
CN(CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=N4
InChI
InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
InChIKey
QTQMRBZOBKYXCG-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of GW 1929
CAS: 196808-24-9
CID: 6518171
Formula: C30H29N3O4
MW: 495.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight495.6
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass495.21580641
Monoisotopic Mass495.21580641
Topological Polar Surface Area91.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity705
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