Name: Name:4,5,6,7-Tetrahydro-2-[(3-methylbenzoyl)amino]-benzo[b]thiophene-3-carboxylic acid methyl ester
Brand: Angene
SKU: AG01F2WU
Rating: 90 (10 reviews)

4,5,6,7-Tetrahydro-2-[(3-methylbenzoyl)amino]-benzo[b]thiophene-3-carboxylic acid methyl ester

CAS No.:

328023-47-8

Catalog Number:

AG01F2WU

Molecular Formula:

C18H19NO3S

Molecular Weight:

329.4134

Catalog Number:

AG01F2WU

Chemical Name:

4,5,6,7-Tetrahydro-2-[(3-methylbenzoyl)amino]-benzo[b]thiophene-3-carboxylic acid methyl ester

CAS Number:

328023-47-8

Molecular Formula:

C18H19NO3S

Molecular Weight:

329.4134

MDL Number:

MFCD01120050

IUPAC Name:

methyl 2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI:

InChI=1S/C18H19NO3S/c1-11-6-5-7-12(10-11)16(20)19-17-15(18(21)22-2)13-8-3-4-9-14(13)23-17/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20)

InChI Key:

KIIUUPRXBAGKAM-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(NC(=O)c2cccc(c2)C)sc2c1CCCC2

Complexity:

456

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

329.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.414g/mol

Monoisotopic Mass:

329.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8