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

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

CAS No.:
2138025-70-2
Catalog Number:
AG01EKR2
Molecular Formula:
C23H21N3O4S
Molecular Weight:
435.4955
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Product Description
Catalog Number:
AG01EKR2
Chemical Name:
2-(4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CAS Number:
2138025-70-2
Molecular Formula:
C23H21N3O4S
Molecular Weight:
435.4955
MDL Number:
MFCD31559176
IUPAC Name:
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C23H21N3O4S/c27-21(28)20-13-24-22(31-20)25-9-11-26(12-10-25)23(29)30-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13,19H,9-12,14H2,(H,27,28)
InChI Key:
DOOVNQDLUFYCRY-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncc(s1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
649  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.125g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
435.498g/mol
Monoisotopic Mass:
435.125g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties