PHA690509 50mg

CAT: 0628-A13550-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A13550-50Size:50 mg

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CAS Number

492445-28-0

Chemical Information

Pha-690509

CAS Number	492445-28-0
PubChem CID	9902100
IUPAC Name	(2S)-2-(4-acetamidophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
Molecular Formula	C17H21N3O2S
Molecular Weight	331.4
XLogP	3
Topological Polar Surface Area	99.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	422

SMILES

C[C@@H](C1=CC=C(C=C1)NC(=O)C)C(=O)NC2=NC=C(S2)C(C)C

InChI

InChI=1S/C17H21N3O2S/c1-10(2)15-9-18-17(23-15)20-16(22)11(3)13-5-7-14(8-6-13)19-12(4)21/h5-11H,1-4H3,(H,19,21)(H,18,20,22)/t11-/m0/s1

InChIKey

NFSKEXQRNDSSAN-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 492445-28-0

CID: 9902100

Formula: C17H21N3O2S

MW: 331.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.4
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	331.13544809
Monoisotopic Mass	331.13544809
Topological Polar Surface Area	99.3 Å²
Heavy Atom Count	23
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

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