Name: Name:4-(4-Boc-piperazin-1-yl)benzo[b]thein-2-carboxylate
Brand: Angene
SKU: AG01DTC9
Rating: 90 (10 reviews)

4-(4-Boc-piperazin-1-yl)benzo[b]thein-2-carboxylate

CAS No.:

1677681-02-5

Catalog Number:

AG01DTC9

Molecular Formula:

C18H22N2O4S

Molecular Weight:

362.4433

Catalog Number:

AG01DTC9

Chemical Name:

4-(4-Boc-piperazin-1-yl)benzo[b]thein-2-carboxylate

CAS Number:

1677681-02-5

Molecular Formula:

C18H22N2O4S

Molecular Weight:

362.4433

MDL Number:

MFCD29058610

IUPAC Name:

4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1-benzothiophene-2-carboxylic acid

InChI:

InChI=1S/C18H22N2O4S/c1-18(2,3)24-17(23)20-9-7-19(8-10-20)13-5-4-6-14-12(13)11-15(25-14)16(21)22/h4-6,11H,7-10H2,1-3H3,(H,21,22)

InChI Key:

CBMTWQVOOWMNQX-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)c1cccc2c1cc(s2)C(=O)O)OC(C)(C)C

Complexity:

514

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

362.13g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

362.444g/mol

Monoisotopic Mass:

362.13g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6