NCT02

CAT: 0607-BA3774-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3774-10Size:10 mg

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

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CAS Number

790245-61-3

Form

A solid

Molecular Formula

C17H16N2O2S

Molecular Weight

312.39

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-(5H,6H,7H-indeno(5,6-b)furan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

CAS Number	790245-61-3
PubChem CID	2501755
IUPAC Name	2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
Molecular Formula	C17H16N2O2S
Molecular Weight	312.4
XLogP	3.7
Topological Polar Surface Area	83.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	433

SMILES

CC1=CN=C(S1)NC(=O)CC2=COC3=C2C=C4CCCC4=C3

InChI

InChI=1S/C17H16N2O2S/c1-10-8-18-17(22-10)19-16(20)7-13-9-21-15-6-12-4-2-3-11(12)5-14(13)15/h5-6,8-9H,2-4,7H2,1H3,(H,18,19,20)

InChIKey

IELCYEUTXLYDOV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 790245-61-3

CID: 2501755

Formula: C17H16N2O2S

MW: 312.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.4
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	312.09324893
Monoisotopic Mass	312.09324893
Topological Polar Surface Area	83.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	433
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
T60030	NCT02