SGC-SMARCA-BRDVIII

CAT: 0607-BA4676-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA4676-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

1997319-84-2

Form

A solid

Molecular Formula

C19H25N5O3

Molecular Weight

371.43

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Sgc-smarca-brdviii

CAS Number	1997319-84-2
PubChem CID	137045929
IUPAC Name	tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Molecular Formula	C19H25N5O3
Molecular Weight	371.4
XLogP	1.6
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	504

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O

InChI

InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)

InChIKey

AQTNUGRRZDRZIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1997319-84-2

CID: 137045929

Formula: C19H25N5O3

MW: 371.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.4
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	371.19573968
Monoisotopic Mass	371.19573968
Topological Polar Surface Area	105 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	504
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