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Caylin-1

CAT: 0926-HYB48088-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-HYB48088-02Size:25 mg
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CAS Number
1207480-88-3
Smiles
CC1=CC=C (C2=CC=CC=C12) C (=N) N
Molecular Formula
C30H28Cl4N4O4
Molecular Weight
650.40 g/mol
Controlled
No

Chemical Information

4-[4,5-Bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CAS Number1207480-88-3
PubChem CID53394469
IUPAC Name4-[4,5-bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
Molecular FormulaC30H28Cl4N4O4
Molecular Weight650.4
XLogP6.5
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1000
SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C30H28Cl4N4O4/c1-16(2)42-25-14-19(41-3)6-7-20(25)29-36-27(17-4-8-21(31)23(33)12-17)28(18-5-9-22(32)24(34)13-18)38(29)30(40)37-11-10-35-26(39)15-37/h4-9,12-14,16,27-28H,10-11,15H2,1-3H3,(H,35,39)
InChIKey
SOQGENPVVRSGAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4,5-Bis(3,4-dichlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
CAS: 1207480-88-3
CID: 53394469
Formula: C30H28Cl4N4O4
MW: 650.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.4
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass650.083516
Monoisotopic Mass648.086466
Topological Polar Surface Area83.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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