Name: Name:5,6-Dihydro-4H-thieno[3,2-d][1]benzazepine-2-carboxylic acid
Brand: Angene
SKU: AG00AM0D
Rating: 90 (10 reviews)

5,6-Dihydro-4H-thieno[3,2-d][1]benzazepine-2-carboxylic acid

CAS No.:

153894-33-8

Catalog Number:

AG00AM0D

Molecular Formula:

C13H11NO2S

Molecular Weight:

245.2969

Catalog Number:

AG00AM0D

Chemical Name:

5,6-Dihydro-4H-thieno[3,2-d][1]benzazepine-2-carboxylic acid

CAS Number:

153894-33-8

Molecular Formula:

C13H11NO2S

Molecular Weight:

245.2969

MDL Number:

MFCD18252314

IUPAC Name:

5,6-dihydro-4H-thieno[3,2-d][1]benzazepine-2-carboxylic acid

InChI:

InChI=1S/C13H11NO2S/c15-13(16)11-7-8-5-6-14-10-4-2-1-3-9(10)12(8)17-11/h1-4,7,14H,5-6H2,(H,15,16)

InChI Key:

SNJYGABQLZJUSJ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2c(s1)c1ccccc1NCC2

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.296g/mol

Monoisotopic Mass:

245.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1