Home Carboxys 2-(3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propyl)-4-methyl-1,3-thiazole-5-carboxylic acid

CAS No.:
2091385-54-3
Catalog Number:
AG01AJN3
Molecular Formula:
C23H22N2O4S
Molecular Weight:
422.4968
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Product Description
Catalog Number:
AG01AJN3
Chemical Name:
2-(3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number:
2091385-54-3
Molecular Formula:
C23H22N2O4S
Molecular Weight:
422.4968
MDL Number:
MFCD31592251
IUPAC Name:
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C23H22N2O4S/c1-14-21(22(26)27)30-20(25-14)11-6-12-24-23(28)29-13-19-17-9-4-2-7-15(17)16-8-3-5-10-18(16)19/h2-5,7-10,19H,6,11-13H2,1H3,(H,24,28)(H,26,27)
InChI Key:
KMTABVSTVHQKOU-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCCc1nc(c(s1)C(=O)O)C
Properties
Complexity:
596  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.13g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
422.499g/mol
Monoisotopic Mass:
422.13g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties