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113711-28-7

113711-28-7 | 2(1H)-Isoquinolinebutanamide, N-9H-fluoren-9-yl-3,4-dihydro-

CAS No: 113711-28-7 Catalog No: AG0009ET MDL No:

Product Description

Catalog Number:
AG0009ET
Chemical Name:
2(1H)-Isoquinolinebutanamide, N-9H-fluoren-9-yl-3,4-dihydro-
CAS Number:
113711-28-7
Molecular Formula:
C26H26N2O
Molecular Weight:
382.4974
IUPAC Name:
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9H-fluoren-9-yl)butanamide
InChI:
InChI=1S/C26H26N2O/c29-25(14-7-16-28-17-15-19-8-1-2-9-20(19)18-28)27-26-23-12-5-3-10-21(23)22-11-4-6-13-24(22)26/h1-6,8-13,26H,7,14-18H2,(H,27,29)
InChI Key:
CQKVQQQKWQLLDC-UHFFFAOYSA-N
SMILES:
O=C(NC1c2ccccc2c2c1cccc2)CCCN1CCc2c(C1)cccc2

Properties

Complexity:
541  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.205g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
382.507g/mol
Monoisotopic Mass:
382.205g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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