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

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

CAS No.:
2137652-33-4
Catalog Number:
AG01EKWZ
Molecular Formula:
C25H21NO5
Molecular Weight:
415.4379
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Product Description
Catalog Number:
AG01EKWZ
Chemical Name:
4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid
CAS Number:
2137652-33-4
Molecular Formula:
C25H21NO5
Molecular Weight:
415.4379
MDL Number:
MFCD31559363
IUPAC Name:
4-(9H-fluoren-9-ylmethoxycarbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-9-carboxylic acid
InChI:
InChI=1S/C25H21NO5/c27-24(28)21-11-5-6-16-14-26(12-13-30-23(16)21)25(29)31-15-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-11,22H,12-15H2,(H,27,28)
InChI Key:
HWAPIHBPHPJRGK-UHFFFAOYSA-N
SMILES:
O=C(N1CCOc2c(C1)cccc2C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
646  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.142g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
415.445g/mol
Monoisotopic Mass:
415.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties