AS194949 25mg

CAT: 0628-A20847-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A20847-25Size:25 mg

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

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CAS Number

1203680-76-5

Chemical Information

AS1949490

CAS Number	1203680-76-5
PubChem CID	44473434
IUPAC Name	3-[(4-chlorophenyl)methoxy]-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
Molecular Formula	C20H18ClNO2S
Molecular Weight	371.9
XLogP	5.2
Topological Polar Surface Area	66.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	422

SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNO2S/c1-14(16-5-3-2-4-6-16)22-20(23)19-18(11-12-25-19)24-13-15-7-9-17(21)10-8-15/h2-12,14H,13H2,1H3,(H,22,23)/t14-/m0/s1

InChIKey

RFZPGNRLOKVZJY-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 1203680-76-5

CID: 44473434

Formula: C20H18ClNO2S

MW: 371.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	371.9
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	371.0746777
Monoisotopic Mass	371.0746777
Topological Polar Surface Area	66.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	422
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