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318256-28-9 | N3-tert-butyl-N2-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS No: 318256-28-9 Catalog No: AG00IQ5F MDL No:MFCD01316014
Product Description
Catalog Number:
AG00IQ5F
Chemical Name:
N3-tert-butyl-N2-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS Number:
318256-28-9
Molecular Formula:
C22H27N3O3
Molecular Weight:
381.4681
MDL Number:
MFCD01316014
IUPAC Name:
3-N-tert-butyl-2-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
InChI:
InChI=1S/C22H27N3O3/c1-22(2,3)24-20(26)19-13-15-7-5-6-8-16(15)14-25(19)21(27)23-17-9-11-18(28-4)12-10-17/h5-12,19H,13-14H2,1-4H3,(H,23,27)(H,24,26)
InChI Key:
RKPAFDQJSHFLIF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)N1Cc2ccccc2CC1C(=O)NC(C)(C)C
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.205g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.476g/mol
Monoisotopic Mass:
381.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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