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Atolide

CAT: 0931-T30201-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30201-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16231-75-7
Target
Others
Related Pathways
Others
Bioactivity
Atolide is a biochemical.
Smiles
O=C(NC1=CC=C(C=C1C)N(CC)CC)C=2C=CC=CC2N
Molecular Formula
C18H23N3O
Molecular Weight
297.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Atolide

Atolide is a small molecule drug. Atolide has a monoisotopic molecular weight of 297.18 Da.

CAS Number16231-75-7
PubChem CID27761
IUPAC Name2-amino-N-[4-(diethylamino)-2-methylphenyl]benzamide
Molecular FormulaC18H23N3O
Molecular Weight297.4
XLogP3.8
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity356
SMILES
CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2N)C
InChI
InChI=1S/C18H23N3O/c1-4-21(5-2)14-10-11-17(13(3)12-14)20-18(22)15-8-6-7-9-16(15)19/h6-12H,4-5,19H2,1-3H3,(H,20,22)
InChIKey
MMPYYZUCLBHNSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Atolide
CAS: 16231-75-7
CID: 27761
Formula: C18H23N3O
MW: 297.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass297.184112366
Monoisotopic Mass297.184112366
Topological Polar Surface Area58.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity356
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

Alternative Products

CatalogName
GTR19196323-01Atolide

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