Chlamydia pneumoniae-IN-1

CAT: 0127-BUP04051-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04051-01Size:5 mg

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CAS Number

518010-44-1

Purity

=95%

Smiles

O=C(NC1=CC=CC(=C1)C2=NC3=CC=C(C=C3N2)C)C=4SC=CC4

Chemical Information

Chlamydia pneumoniae-IN-1

CAS Number	518010-44-1
PubChem CID	2200577
IUPAC Name	N-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]thiophene-2-carboxamide
Molecular Formula	C19H15N3OS
Molecular Weight	333.4
XLogP	4.4
Topological Polar Surface Area	86
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	460

SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C19H15N3OS/c1-12-7-8-15-16(10-12)22-18(21-15)13-4-2-5-14(11-13)20-19(23)17-6-3-9-24-17/h2-11H,1H3,(H,20,23)(H,21,22)

InChIKey

BDHYTOROWXHRFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 518010-44-1

CID: 2200577

Formula: C19H15N3OS

MW: 333.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	333.4
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	333.09358328
Monoisotopic Mass	333.09358328
Topological Polar Surface Area	86 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	460
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

Catalog	Name
BITP1741-01	Recombinant Chlamydia Trachomatis W5
BITP2046-01	Mouse Anti Chlamydia LPS
BITP1742-01	Recombinant Chlamydia Trachomatis PGP3-D
BITP1744-01	Recombinant Chlamydia Trachomatis HSP70 (549-660)
BITP1743-01	Recombinant Chlamydia Trachomatis HSP70 (462-503)
BIZY1021	Blood-group endo-beta-galactosidase 98A from Streptococcus pneumoniae
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane

Catalog	Name
MBS5820749	Chlamydia pneumoniae-IN-1
1694	Chlamydia pneumoniae
K737	Chlamydia pneumoniae + Chlamydia trachomatis