Name: Name:2-{5-oxo-4H,5H,6H,7H,8H-thieno[3,2-b]azepin-4-yl}acetic acid
Brand: Angene
SKU: AG01AGJD
Rating: 90 (10 reviews)

2-{5-oxo-4H,5H,6H,7H,8H-thieno[3,2-b]azepin-4-yl}acetic acid

CAS No.:

648881-57-6

Catalog Number:

AG01AGJD

Molecular Formula:

C10H11NO3S

Molecular Weight:

225.2642

Catalog Number:

AG01AGJD

Chemical Name:

2-{5-oxo-4H,5H,6H,7H,8H-thieno[3,2-b]azepin-4-yl}acetic acid

CAS Number:

648881-57-6

Molecular Formula:

C10H11NO3S

Molecular Weight:

225.2642

MDL Number:

MFCD18089442

IUPAC Name:

2-(5-oxo-7,8-dihydro-6H-thieno[3,2-b]azepin-4-yl)acetic acid

InChI:

InChI=1S/C10H11NO3S/c12-9-3-1-2-8-7(4-5-15-8)11(9)6-10(13)14/h4-5H,1-3,6H2,(H,13,14)

InChI Key:

PQINLZINZTWBEJ-UHFFFAOYSA-N

SMILES:

OC(=O)CN1C(=O)CCCc2c1ccs2

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.262g/mol

Monoisotopic Mass:

225.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9