200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 136465-81-1
136465-81-1 | 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-
CAS No: 136465-81-1 Catalog No: AG0011VN MDL No:MFCD01313226
Product Description
Catalog Number:
AG0011VN
Chemical Name:
3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-
CAS Number:
136465-81-1
Molecular Formula:
C14H26N2O
Molecular Weight:
238.3690
MDL Number:
MFCD01313226
IUPAC Name:
(3S,4aS,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)/t10-,11+,12-/m0/s1
InChI Key:
UPZBXVBPICTBDP-TUAOUCFPSA-N
SMILES:
O=C([C@H]1NC[C@@H]2[C@H](C1)CCCC2)NC(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
238.205g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.375g/mol
Monoisotopic Mass:
238.205g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.