Name: Name:1,5-Benzothiazepine-7-carboxylic acid, 2,3,4,5-tetrahydro-4-oxo-
Brand: Angene
SKU: AG00ID05
Rating: 90 (10 reviews)

1,5-Benzothiazepine-7-carboxylic acid, 2,3,4,5-tetrahydro-4-oxo-

CAS No.:

790681-57-1

Catalog Number:

AG00ID05

Molecular Formula:

C10H9NO3S

Molecular Weight:

223.2484

Catalog Number:

AG00ID05

Chemical Name:

1,5-Benzothiazepine-7-carboxylic acid, 2,3,4,5-tetrahydro-4-oxo-

CAS Number:

790681-57-1

Molecular Formula:

C10H9NO3S

Molecular Weight:

223.2484

MDL Number:

MFCD06358629

IUPAC Name:

4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid

InChI:

InChI=1S/C10H9NO3S/c12-9-3-4-15-8-2-1-6(10(13)14)5-7(8)11-9/h1-2,5H,3-4H2,(H,11,12)(H,13,14)

InChI Key:

LPFHJSPWVVGCID-UHFFFAOYSA-N

SMILES:

O=C1CCSc2c(N1)cc(cc2)C(=O)O

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.246g/mol

Monoisotopic Mass:

223.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8