200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1191901-07-1
1191901-07-1 | 1-Piperazinecarboxylic acid, 4-benzo[b]thien-4-yl-, 1,1-dimethylethyl ester
CAS No: 1191901-07-1 Catalog No: AG000IAY MDL No:
Product Description
Catalog Number:
AG000IAY
Chemical Name:
1-Piperazinecarboxylic acid, 4-benzo[b]thien-4-yl-, 1,1-dimethylethyl ester
CAS Number:
1191901-07-1
Molecular Formula:
C17H22N2O2S
Molecular Weight:
318.4338
IUPAC Name:
tert-butyl 4-(1-benzothiophen-4-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C17H22N2O2S/c1-17(2,3)21-16(20)19-10-8-18(9-11-19)14-5-4-6-15-13(14)7-12-22-15/h4-7,12H,8-11H2,1-3H3
InChI Key:
CCKKZUUXAAEVRO-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cccc2c1ccs2)OC(C)(C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.14g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.435g/mol
Monoisotopic Mass:
318.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.