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318517-18-9 | N3-tert-butyl-N2-ethyl-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS No: 318517-18-9 Catalog No: AG00IUED MDL No:MFCD01316080
Product Description
Catalog Number:
AG00IUED
Chemical Name:
N3-tert-butyl-N2-ethyl-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS Number:
318517-18-9
Molecular Formula:
C17H25N3O2
Molecular Weight:
303.3993
MDL Number:
MFCD01316080
IUPAC Name:
3-N-tert-butyl-2-N-ethyl-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
InChI:
InChI=1S/C17H25N3O2/c1-5-18-16(22)20-11-13-9-7-6-8-12(13)10-14(20)15(21)19-17(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,18,22)(H,19,21)
InChI Key:
FSNBUJGVCQRPIW-UHFFFAOYSA-N
SMILES:
CCNC(=O)N1Cc2ccccc2CC1C(=O)NC(C)(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.195g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.406g/mol
Monoisotopic Mass:
303.195g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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