PARP-1-IN-2

CAT: 0607-BA3208-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3208-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

684234-55-7

Form

A solid

Molecular Formula

C22H15Cl2N3O2

Molecular Weight

424.28

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

N-(3-Chlorophenyl)-2-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)acetamide

CAS Number	684234-55-7
PubChem CID	1987353
IUPAC Name	N-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
Molecular Formula	C22H15Cl2N3O2
Molecular Weight	424.3
XLogP	5
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	648

SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15Cl2N3O2/c23-15-10-8-14(9-11-15)21-18-6-1-2-7-19(18)22(29)27(26-21)13-20(28)25-17-5-3-4-16(24)12-17/h1-12H,13H2,(H,25,28)

InChIKey

ASIIOGZHCMSESG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 684234-55-7

CID: 1987353

Formula: C22H15Cl2N3O2

MW: 424.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	424.3
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	423.0541321
Monoisotopic Mass	423.0541321
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	648
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes