DGK-IN-1

CAT: 0607-BA7292-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7292-1Size:1 mg

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

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CAS Number

2407892-34-4

Form

A solid

Molecular Formula

C29H27Cl2N5O

Molecular Weight

532.46

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Dgk-IN-1

CAS Number	2407892-34-4
PubChem CID	146466342
IUPAC Name	8-[(2S,5R)-4-[bis(4-chlorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
Molecular Formula	C29H27Cl2N5O
Molecular Weight	532.5
XLogP	5.5
Topological Polar Surface Area	63.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	37
Formal Charge	0
Complexity	881

SMILES

C[C@@H]1CN([C@H](CN1C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C)C4=CC(=O)N(C5=C4N=C(C=C5)C#N)C

InChI

InChI=1S/C29H27Cl2N5O/c1-18-17-36(29(20-4-8-22(30)9-5-20)21-6-10-23(31)11-7-21)19(2)16-35(18)26-14-27(37)34(3)25-13-12-24(15-32)33-28(25)26/h4-14,18-19,29H,16-17H2,1-3H3/t18-,19+/m0/s1

InChIKey

REURPYMYAHZMMX-RBUKOAKNSA-N

Chemical Structure

2D Structure

CAS: 2407892-34-4

CID: 146466342

Formula: C29H27Cl2N5O

MW: 532.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	532.5
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	531.1592659
Monoisotopic Mass	531.1592659
Topological Polar Surface Area	63.5 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	881
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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