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

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

CAS No.:
2138546-32-2
Catalog Number:
AG01EL29
Molecular Formula:
C24H23ClN2O4S
Molecular Weight:
470.9684
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Product Description
Catalog Number:
AG01EL29
Chemical Name:
2-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid hydrochloride
CAS Number:
2138546-32-2
Molecular Formula:
C24H23ClN2O4S
Molecular Weight:
470.9684
MDL Number:
MFCD31559278
IUPAC Name:
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
InChI:
InChI=1S/C24H22N2O4S.ClH/c1-14-21(23(27)28)31-22(25-14)15-10-11-26(12-15)24(29)30-13-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;/h2-9,15,20H,10-13H2,1H3,(H,27,28);1H
InChI Key:
XYMNXJXDKGFGQJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)c1nc(c(s1)C(=O)O)C)OCC1c2ccccc2c2c1cccc2.Cl
Properties
Complexity:
669  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.107g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
470.968g/mol
Monoisotopic Mass:
470.107g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties