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318256-30-3 | N3-tert-butyl-N2-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS No: 318256-30-3 Catalog No: AG00IP94 MDL No:MFCD01316017
Product Description
Catalog Number:
AG00IP94
Chemical Name:
N3-tert-butyl-N2-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS Number:
318256-30-3
Molecular Formula:
C21H24ClN3O2
Molecular Weight:
385.8872
MDL Number:
MFCD01316017
IUPAC Name:
3-N-tert-butyl-2-N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
InChI:
InChI=1S/C21H24ClN3O2/c1-21(2,3)24-19(26)18-12-14-6-4-5-7-15(14)13-25(18)20(27)23-17-10-8-16(22)9-11-17/h4-11,18H,12-13H2,1-3H3,(H,23,27)(H,24,26)
InChI Key:
BBEAYRZQLLLRNF-UHFFFAOYSA-N
SMILES:
O=C(C1Cc2ccccc2CN1C(=O)Nc1ccc(cc1)Cl)NC(C)(C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.156g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.892g/mol
Monoisotopic Mass:
385.156g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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