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FLTX1

CAT: 0607-BA9229-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA9229-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1481401-71-1
Form
A solid
Molecular Formula
C31H28N4O4
Molecular Weight
520.59
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

CID 71816204
CAS Number1481401-71-1
PubChem CID71816204
IUPAC NameN-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine
Molecular FormulaC31H28N4O4
Molecular Weight520.6
XLogP8
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity812
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C3=CC=C(C4=NON=C34)[N+](=O)[O-])/C5=CC=CC=C5
InChI
InChI=1S/C31H28N4O4/c1-3-26(22-10-6-4-7-11-22)29(23-12-8-5-9-13-23)24-14-16-25(17-15-24)38-21-20-34(2)27-18-19-28(35(36)37)31-30(27)32-39-33-31/h4-19H,3,20-21H2,1-2H3/b29-26-
InChIKey
UKSXWLGSDIHAEK-WCTVFOPTSA-N
Chemical Structure
2D Structure
2D structure of CID 71816204
CAS: 1481401-71-1
CID: 71816204
Formula: C31H28N4O4
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP38
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass520.21105539
Monoisotopic Mass520.21105539
Topological Polar Surface Area97.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity812
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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