TCS 359

CAT: 0127-BUP06215-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06215-02Size:10 mg

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CAS Number

301305-73-7

Synonyms

FLT3 Inhibitor

Purity

=98%

Smiles

COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O

Chemical Information

Flt-3 inhibitor

2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a dimethoxybenzene.

CAS Number	301305-73-7
PubChem CID	1048845
IUPAC Name	2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Molecular Formula	C18H20N2O4S
Molecular Weight	360.4
XLogP	3.4
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	503

SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OC

InChI

InChI=1S/C18H20N2O4S/c1-23-12-8-7-10(9-13(12)24-2)17(22)20-18-15(16(19)21)11-5-3-4-6-14(11)25-18/h7-9H,3-6H2,1-2H3,(H2,19,21)(H,20,22)

InChIKey

FSPQCTGGIANIJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 301305-73-7

CID: 1048845

Formula: C18H20N2O4S

MW: 360.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.4
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	360.11437830
Monoisotopic Mass	360.11437830
Topological Polar Surface Area	119 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	503
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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