MYLS22

CAT: 0127-BUP15357-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15357-04Size:50 mg

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

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CAS Number

306959-01-3

Purity

=98%

Smiles

Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O

Chemical Information

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methyl-1-phenyl-1H-thieno(2,3-c)pyrazole-5-carboxamide

CAS Number	306959-01-3
PubChem CID	1142445
IUPAC Name	N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
Molecular Formula	C24H21N5O2S
Molecular Weight	443.5
XLogP	5.1
Topological Polar Surface Area	98.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	776

SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC4=C(S3)N(N=C4C)C5=CC=CC=C5

InChI

InChI=1S/C24H21N5O2S/c1-15-19-14-20(32-24(19)28(26-15)17-10-6-4-7-11-17)22(30)25-21-16(2)27(3)29(23(21)31)18-12-8-5-9-13-18/h4-14H,1-3H3,(H,25,30)

InChIKey

WIEJADKUYLLKPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 306959-01-3

CID: 1142445

Formula: C24H21N5O2S

MW: 443.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	443.5
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	443.14159610
Monoisotopic Mass	443.14159610
Topological Polar Surface Area	98.7 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	776
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

Catalog	Name
HY-136446	MYLS22