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AG 392

CAT: 0013-GTR19195871-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195871-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AG 392
CAS Number
158018-62-3
Smiles
O=N (=O) C1=CC=C (C=C1) S (=O) (=O) C2=CC=C (C=C2) CN (CC=3C=CC=4N=C (N=C (N) C4C3) N) CC
Molecular Formula
C24H24N6O4S
Molecular Weight
492.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,4-Quinazolinediamine, 6-((ethyl((4-((4-nitrophenyl)sulfonyl)phenyl)methyl)amino)methyl)-
CAS Number158018-62-3
PubChem CID178003
IUPAC Name6-[[ethyl-[[4-(4-nitrophenyl)sulfonylphenyl]methyl]amino]methyl]quinazoline-2,4-diamine
Molecular FormulaC24H24N6O4S
Molecular Weight492.6
XLogP3.2
Topological Polar Surface Area169
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity802
SMILES
CCN(CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)N=C(N=C4N)N
InChI
InChI=1S/C24H24N6O4S/c1-2-29(15-17-5-12-22-21(13-17)23(25)28-24(26)27-22)14-16-3-8-19(9-4-16)35(33,34)20-10-6-18(7-11-20)30(31)32/h3-13H,2,14-15H2,1H3,(H4,25,26,27,28)
InChIKey
RHILSNIKHKKVCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Quinazolinediamine, 6-((ethyl((4-((4-nitrophenyl)sulfonyl)phenyl)methyl)amino)methyl)-
CAS: 158018-62-3
CID: 178003
Formula: C24H24N6O4S
MW: 492.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.6
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass492.15797444
Monoisotopic Mass492.15797444
Topological Polar Surface Area169 Ų
Heavy Atom Count35
Formal Charge0
Complexity802
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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