Home Carboxys 3-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid

3-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid

CAS No.:
1630743-41-7
Catalog Number:
AG01EKSC
Molecular Formula:
C26H23NO4
Molecular Weight:
413.4651
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EKSC
Chemical Name:
3-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid
CAS Number:
1630743-41-7
Molecular Formula:
C26H23NO4
Molecular Weight:
413.4651
MDL Number:
MFCD31559754
IUPAC Name:
3-(9H-fluoren-9-ylmethoxycarbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid
InChI:
InChI=1S/C26H23NO4/c28-25(29)19-10-9-17-11-13-27(14-12-18(17)15-19)26(30)31-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-10,15,24H,11-14,16H2,(H,28,29)
InChI Key:
CFNKRXFLJGSGOL-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(CC1)ccc(c2)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
644  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.163g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
413.473g/mol
Monoisotopic Mass:
413.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties