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318517-14-5 | N3-tert-butyl-N2-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS No: 318517-14-5 Catalog No: AG00IUEC MDL No:MFCD01316078
Product Description
Catalog Number:
AG00IUEC
Chemical Name:
N3-tert-butyl-N2-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS Number:
318517-14-5
Molecular Formula:
C22H27N3O2
Molecular Weight:
365.4687
MDL Number:
MFCD01316078
IUPAC Name:
3-N-tert-butyl-2-N-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
InChI:
InChI=1S/C22H27N3O2/c1-15-9-11-18(12-10-15)23-21(27)25-14-17-8-6-5-7-16(17)13-19(25)20(26)24-22(2,3)4/h5-12,19H,13-14H2,1-4H3,(H,23,27)(H,24,26)
InChI Key:
GRSWDZFYUJSJPS-UHFFFAOYSA-N
SMILES:
O=C(C1Cc2ccccc2CN1C(=O)Nc1ccc(cc1)C)NC(C)(C)C
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.21g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.477g/mol
Monoisotopic Mass:
365.21g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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