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379243-31-9 | 2-(5-Phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydro-isoquinoline
CAS No: 379243-31-9 Catalog No: AG00JP51 MDL No:MFCD01935061
Product Description
Catalog Number:
AG00JP51
Chemical Name:
2-(5-Phenyl-thieno[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydro-isoquinoline
CAS Number:
379243-31-9
Molecular Formula:
C21H17N3S
Molecular Weight:
343.4448
MDL Number:
MFCD01935061
IUPAC Name:
4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-phenylthieno[2,3-d]pyrimidine
InChI:
InChI=1S/C21H17N3S/c1-2-7-16(8-3-1)18-13-25-21-19(18)20(22-14-23-21)24-11-10-15-6-4-5-9-17(15)12-24/h1-9,13-14H,10-12H2
InChI Key:
YISSDERVCVSJHT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1csc2c1c(ncn2)N1CCc2c(C1)cccc2
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.448g/mol
Monoisotopic Mass:
343.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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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