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318517-16-7 | N3-tert-butyl-N2-(3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS No: 318517-16-7 Catalog No: AG00IYES MDL No:MFCD01316079
Product Description
Catalog Number:
AG00IYES
Chemical Name:
N3-tert-butyl-N2-(3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide
CAS Number:
318517-16-7
Molecular Formula:
C21H24ClN3O2
Molecular Weight:
385.8872
MDL Number:
MFCD01316079
IUPAC Name:
3-N-tert-butyl-2-N-(3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
InChI:
InChI=1S/C21H24ClN3O2/c1-21(2,3)24-19(26)18-11-14-7-4-5-8-15(14)13-25(18)20(27)23-17-10-6-9-16(22)12-17/h4-10,12,18H,11,13H2,1-3H3,(H,23,27)(H,24,26)
InChI Key:
UYWCDCYJWXJGDW-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NC(=O)N1Cc2ccccc2CC1C(=O)NC(C)(C)C
Properties
Complexity:
548
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
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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