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

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

CAS No.:
2137514-33-9
Catalog Number:
AG01EKVL
Molecular Formula:
C25H21NO5
Molecular Weight:
415.4379
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Product Description
Catalog Number:
AG01EKVL
Chemical Name:
4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxylic acid
CAS Number:
2137514-33-9
Molecular Formula:
C25H21NO5
Molecular Weight:
415.4379
MDL Number:
MFCD31438568
IUPAC Name:
4-(9H-fluoren-9-ylmethoxycarbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-5-carboxylic acid
InChI:
InChI=1S/C25H21NO5/c27-24(28)23-20-11-5-6-12-22(20)30-14-13-26(23)25(29)31-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-12,21,23H,13-15H2,(H,27,28)
InChI Key:
CEHUCCYIRRWCPO-UHFFFAOYSA-N
SMILES:
OC(=O)C1N(CCOc2c1cccc2)C(=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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties