Products for Research Use Only

MJN110 10mg

CAT: 0628-A16081-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A16081-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1438416-21-7

Chemical Information

Mjn110

MJN110 is a diarylmethane.

CAS Number1438416-21-7
PubChem CID71722059
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
Molecular FormulaC22H21Cl2N3O4
Molecular Weight462.3
XLogP3.5
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity632
SMILES
C1CC(=O)N(C1=O)OC(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2
InChIKey
BEADRWVIFHOSGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mjn110
CAS: 1438416-21-7
CID: 71722059
Formula: C22H21Cl2N3O4
MW: 462.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight462.3
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass461.0909115
Monoisotopic Mass461.0909115
Topological Polar Surface Area70.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity632
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