PDD 00017273 10mg

CAT: 0628-A20305-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A20305-10Size:10 mg

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CAS Number

1945950-21-9

Chemical Information

Pdd00017273 (4)

CAS Number	1945950-21-9
PubChem CID	121398766
IUPAC Name	1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
Molecular Formula	C23H26N6O4S2
Molecular Weight	514.6
XLogP	1.7
Topological Polar Surface Area	154
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	954

SMILES

CC1=NN(C(=C1)CN2C3=C(C=C(C=C3)S(=O)(=O)NC4(CC4)C)C(=O)N(C2=O)CC5=CN=C(S5)C)C

InChI

InChI=1S/C23H26N6O4S2/c1-14-9-16(27(4)25-14)12-28-20-6-5-18(35(32,33)26-23(3)7-8-23)10-19(20)21(30)29(22(28)31)13-17-11-24-15(2)34-17/h5-6,9-11,26H,7-8,12-13H2,1-4H3

InChIKey

IFWUBRBMMNTBRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1945950-21-9

CID: 121398766

Formula: C23H26N6O4S2

MW: 514.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	514.6
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	514.14569568
Monoisotopic Mass	514.14569568
Topological Polar Surface Area	154 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	954
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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PDD 00017273 10mg

Chemical Information

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