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SNT-207858 100mg

CAT: 0628-A12878-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A12878-100Size:100 mg
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CAS Number
1104080-42-3

Chemical Information

N-[3-(2,4-Dichlorophenyl)-1-oxo-1-[4-[3-(2-pyrrolidin-1-ylbutoxy)pyridin-2-yl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;dihydrochloride
CAS Number1104080-42-3
PubChem CID74407434
IUPAC NameN-[3-(2,4-dichlorophenyl)-1-oxo-1-[4-[3-(2-pyrrolidin-1-ylbutoxy)-2-pyridinyl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;dihydrochloride
Molecular FormulaC32H45Cl4N5O3
Molecular Weight689.5
Topological Polar Surface Area78
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count44
Formal Charge0
Complexity863
SMILES
CCC(COC1=C(N=CC=C1)C2CCN(CC2)C(=O)C(CC3=C(C=C(C=C3)Cl)Cl)NC(=O)N4CCCC4)N5CCCC5.Cl.Cl
InChI
InChI=1S/C32H43Cl2N5O3.2ClH/c1-2-26(37-14-3-4-15-37)22-42-29-8-7-13-35-30(29)23-11-18-38(19-12-23)31(40)28(36-32(41)39-16-5-6-17-39)20-24-9-10-25(33)21-27(24)34;;/h7-10,13,21,23,26,28H,2-6,11-12,14-20,22H2,1H3,(H,36,41);2*1H
InChIKey
DFRHMBGAOYBWHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(2,4-Dichlorophenyl)-1-oxo-1-[4-[3-(2-pyrrolidin-1-ylbutoxy)pyridin-2-yl]piperidin-1-yl]propan-2-yl]pyrrolidine-1-carboxamide;dihydrochloride
CAS: 1104080-42-3
CID: 74407434
Formula: C32H45Cl4N5O3
MW: 689.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight689.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass689.224701
Monoisotopic Mass687.227651
Topological Polar Surface Area78 Ų
Heavy Atom Count44
Formal Charge0
Complexity863
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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