200,000+ products from a single source!
sales@angenechem.com
1476776-84-7 | 1-Piperidinecarboxylic acid, 3-[4-[7-[[(1,1-dimethylethyl)amino]carbonyl]-2H-indazol-2-yl]phenyl]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1476776-84-7 Catalog No: AG001F2A MDL No:
Product Description
Catalog Number:
AG001F2A
Chemical Name:
1-Piperidinecarboxylic acid, 3-[4-[7-[[(1,1-dimethylethyl)amino]carbonyl]-2H-indazol-2-yl]phenyl]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1476776-84-7
Molecular Formula:
C28H36N4O3
Molecular Weight:
476.6104
IUPAC Name:
tert-butyl (3S)-3-[4-[7-(tert-butylcarbamoyl)indazol-2-yl]phenyl]piperidine-1-carboxylate
InChI:
InChI=1S/C28H36N4O3/c1-27(2,3)29-25(33)23-11-7-9-21-18-32(30-24(21)23)22-14-12-19(13-15-22)20-10-8-16-31(17-20)26(34)35-28(4,5)6/h7,9,11-15,18,20H,8,10,16-17H2,1-6H3,(H,29,33)/t20-/m1/s1
InChI Key:
ZSQALFSOAVNUSM-HXUWFJFHSA-N
SMILES:
O=C(N1CCC[C@H](C1)c1ccc(cc1)n1nc2c(c1)cccc2C(=O)NC(C)(C)C)OC(C)(C)C
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
476.279g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
476.621g/mol
Monoisotopic Mass:
476.279g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.