Name: Name:5-[(benzyloxy)carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-4-carboxylic acid
Brand: Angene
SKU: AG01DYNU
Rating: 90 (10 reviews)

5-[(benzyloxy)carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-4-carboxylic acid

CAS No.:

1339529-82-6

Catalog Number:

AG01DYNU

Molecular Formula:

C16H15NO4S

Molecular Weight:

317.3596

Catalog Number:

AG01DYNU

Chemical Name:

5-[(benzyloxy)carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine-4-carboxylic acid

CAS Number:

1339529-82-6

Molecular Formula:

C16H15NO4S

Molecular Weight:

317.3596

MDL Number:

MFCD18264630

IUPAC Name:

5-phenylmethoxycarbonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

InChI:

InChI=1S/C16H15NO4S/c18-15(19)14-12-7-9-22-13(12)6-8-17(14)16(20)21-10-11-4-2-1-3-5-11/h1-5,7,9,14H,6,8,10H2,(H,18,19)

InChI Key:

ICMALNSCBVXOHG-UHFFFAOYSA-N

SMILES:

OC(=O)C1N(CCc2c1ccs2)C(=O)OCc1ccccc1

Complexity:

424

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.359g/mol

Monoisotopic Mass:

317.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7