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S 32212 HCl 5mg

CAT: 0628-A13501-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A13501-5Size:5 mg
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CAS Number
847871-78-7

Chemical Information

S 32212 hydrochloride
CAS Number847871-78-7
PubChem CID11487816
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole-3-carboxamide;hydrochloride
Molecular FormulaC25H29ClN4O2
Molecular Weight453.0
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity623
SMILES
CN1CCN(CC1)C2=C(C=CC(=C2)NC(=O)N3CCC4=C3C=CC5=CC=CC=C45)OC.Cl
InChI
InChI=1S/C25H28N4O2.ClH/c1-27-13-15-28(16-14-27)23-17-19(8-10-24(23)31-2)26-25(30)29-12-11-21-20-6-4-3-5-18(20)7-9-22(21)29;/h3-10,17H,11-16H2,1-2H3,(H,26,30);1H
InChIKey
RAKGNVNONBJBSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S 32212 hydrochloride
CAS: 847871-78-7
CID: 11487816
Formula: C25H29ClN4O2
MW: 453.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass452.1979039
Monoisotopic Mass452.1979039
Topological Polar Surface Area48.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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