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DAA-1097

CAT: 0013-GTR19197809-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197809-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DAA-1097
CAS Number
220551-79-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
N (CC1=C (OC (C) C) C=CC=C1) (C (C) =O) C2=C (OC3=CC=CC=C3) C=C (Cl) C=C2
Molecular Formula
C24H24ClNO3
Molecular Weight
409.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-chloro-2-phenoxyphenyl)-N-(2-isopropoxybenzyl)acetamide
CAS Number220551-79-1
PubChem CID9844410
IUPAC NameN-(4-chloro-2-phenoxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
Molecular FormulaC24H24ClNO3
Molecular Weight409.9
XLogP5.7
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity508
SMILES
CC(C)OC1=CC=CC=C1CN(C2=C(C=C(C=C2)Cl)OC3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
InChIKey
CGUBOFYHGYNUDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-chloro-2-phenoxyphenyl)-N-(2-isopropoxybenzyl)acetamide
CAS: 220551-79-1
CID: 9844410
Formula: C24H24ClNO3
MW: 409.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.9
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass409.1444713
Monoisotopic Mass409.1444713
Topological Polar Surface Area38.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity508
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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