LY3130481 25mg

CAT: 0628-A19714-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A19714-25Size:25 mg

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CAS Number

1610802-47-5

Chemical Information

LY-3130481

an AMPA receptor antagonist with anticonvulsant activity; structure in first source

CAS Number	1610802-47-5
PubChem CID	74223604
IUPAC Name	6-[(1S)-1-[1-[5-(2-hydroxyethoxy)-2-pyridinyl]pyrazol-3-yl]ethyl]-3H-1,3-benzothiazol-2-one
Molecular Formula	C19H18N4O3S
Molecular Weight	382.4
XLogP	2.5
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	525

SMILES

C[C@@H](C1=CC2=C(C=C1)NC(=O)S2)C3=NN(C=C3)C4=NC=C(C=C4)OCCO

InChI

InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1

InChIKey

HLTKOFPQDKJCAN-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 1610802-47-5

CID: 74223604

Formula: C19H18N4O3S

MW: 382.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	382.4
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	382.10996162
Monoisotopic Mass	382.10996162
Topological Polar Surface Area	115 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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LY3130481 25mg

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