PSB CB5

CAT: 0926-CQC71030-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-CQC71030-05Size:100 mg

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

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CAS Number

1627710-30-8

Smiles

C1CN2C (=O) C (=CC3=CC (=CC=C3) OCC4=CC=C (C=C4) Cl) N=C2SC1

Molecular Formula

C20H17ClN2O2S

Molecular Weight

384.9 g/mol

Controlled

Chemical Information

Psb-CB5

CAS Number	1627710-30-8
PubChem CID	85469571
IUPAC Name	(2Z)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
Molecular Formula	C20H17ClN2O2S
Molecular Weight	384.9
XLogP	4.7
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	586

SMILES

C1CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=C(C=C4)Cl)/N=C2SC1

InChI

InChI=1S/C20H17ClN2O2S/c21-16-7-5-14(6-8-16)13-25-17-4-1-3-15(11-17)12-18-19(24)23-9-2-10-26-20(23)22-18/h1,3-8,11-12H,2,9-10,13H2/b18-12-

InChIKey

XJBQRMOGMULGPP-PDGQHHTCSA-N

Chemical Structure

2D Structure

CAS: 1627710-30-8

CID: 85469571

Formula: C20H17ClN2O2S

MW: 384.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.9
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	384.0699267
Monoisotopic Mass	384.0699267
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	586
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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