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TMC353121

CAT: 0926-HJB06690-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-HJB06690-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
857066-90-1
MDL Number
MFCD18633233
Smiles
CC1=CC (=C (C=C1) CCCO) NCC2=CC3=C (C=C2) N=C (N3CC4=C (C=CC (=N4) C) O) NCCCN5CCOCC5
Molecular Formula
C32H42N6O3
Molecular Weight
558.71 g/mol
Controlled
No

Chemical Information

Tmc-353121
CAS Number857066-90-1
PubChem CID11249932
IUPAC Name2-[[6-[[2-(3-hydroxypropyl)-5-methylanilino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Molecular FormulaC32H42N6O3
Molecular Weight558.7
XLogP4.2
Topological Polar Surface Area108
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count41
Formal Charge0
Complexity757
SMILES
CC1=CC(=C(C=C1)CCCO)NCC2=CC3=C(C=C2)N=C(N3CC4=C(C=CC(=N4)C)O)NCCCN5CCOCC5
InChI
InChI=1S/C32H42N6O3/c1-23-6-9-26(5-3-16-39)28(19-23)34-21-25-8-10-27-30(20-25)38(22-29-31(40)11-7-24(2)35-29)32(36-27)33-12-4-13-37-14-17-41-18-15-37/h6-11,19-20,34,39-40H,3-5,12-18,21-22H2,1-2H3,(H,33,36)
InChIKey
DKORMNNYNRPTBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tmc-353121
CAS: 857066-90-1
CID: 11249932
Formula: C32H42N6O3
MW: 558.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.7
XLogP34.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass558.33183922
Monoisotopic Mass558.33183922
Topological Polar Surface Area108 Ų
Heavy Atom Count41
Formal Charge0
Complexity757
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
HY-11097TMC353121
A11585-5TMC353121 5mg
A11585-50TMC353121 50mg
A11585-10TMC353121 10mg
A11585-25TMC353121 25mg
A11585-2TMC353121 2mg

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