DDR2-IN-1

CAT: 0607-BA8903-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8903-10Size:10 mg

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

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CAS Number

1573053-23-2

Form

A solid

Molecular Formula

C27H32ClN5O4

Molecular Weight

526.03

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ddr2-IN-1

CAS Number	1573053-23-2
PubChem CID	57839402
IUPAC Name	4-[4-[[[4-chloro-2-[2-(dimethylamino)ethoxy]-5-methylphenyl]carbamoylamino]methyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
Molecular Formula	C27H32ClN5O4
Molecular Weight	526.0
XLogP	3.9
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	37
Formal Charge	0
Complexity	729

SMILES

CC1=CC(=C(C=C1Cl)OCCN(C)C)NC(=O)NCC2=CC(=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)C

InChI

InChI=1S/C27H32ClN5O4/c1-17-13-22(25(15-21(17)28)36-11-10-33(4)5)32-27(35)31-16-19-6-7-24(18(2)12-19)37-20-8-9-30-23(14-20)26(34)29-3/h6-9,12-15H,10-11,16H2,1-5H3,(H,29,34)(H2,31,32,35)

InChIKey

YKRARSYSXDHLJH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1573053-23-2

CID: 57839402

Formula: C27H32ClN5O4

MW: 526.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	526.0
XLogP3	3.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	525.2142822
Monoisotopic Mass	525.2142822
Topological Polar Surface Area	105 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	729
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

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