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WAY-100135

CAT: 0024-sc-364647ASize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-364647ASize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149055-79-8

Chemical Information

(S)-Way 100135
CAS Number149055-79-8
PubChem CID14801905
IUPAC NameN-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide;dihydrochloride
Molecular FormulaC24H35Cl2N3O2
Molecular Weight468.5
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity505
SMILES
CC(C)(C)NC(=O)C(CN1CCN(CC1)C2=CC=CC=C2OC)C3=CC=CC=C3.Cl.Cl
InChI
InChI=1S/C24H33N3O2.2ClH/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4;;/h5-13,20H,14-18H2,1-4H3,(H,25,28);2*1H
InChIKey
VJGZNBYDSDEOED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (S)-Way 100135
CAS: 149055-79-8
CID: 14801905
Formula: C24H35Cl2N3O2
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass467.2106328
Monoisotopic Mass467.2106328
Topological Polar Surface Area44.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T35104-01Way 100135
468806-01WAY-100135
463676WAY-100135 hydrochloride
HY-117575A-01WAY-100135 (dihydrochloride)
T38975-01WAY-100135 dihydrochloride
ZFA00753-01(-) -WAY 100135 dihydrochloride
ZFA00754-01WAY 100135 dihydrochloride, (S) -
1253/50(S)-WAY 100135 dihydrochloride
465783-01S-WAY 100135 Dihydrochloride
HY-110001(S) -WAY 100135 (dihydrochloride)

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