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1141394-87-7 | 1-Piperazinecarboxylic acid, 4-[4-[[(2,3-dihydro-2-oxo-6-benzoxazolyl)amino]carbonyl]-2-thiazolyl]-, (4-chlorophenyl)methyl ester
CAS No: 1141394-87-7 Catalog No: AG000ANE MDL No:MFCD22419412
Product Description
Catalog Number:
AG000ANE
Chemical Name:
1-Piperazinecarboxylic acid, 4-[4-[[(2,3-dihydro-2-oxo-6-benzoxazolyl)amino]carbonyl]-2-thiazolyl]-, (4-chlorophenyl)methyl ester
CAS Number:
1141394-87-7
Molecular Formula:
C23H20ClN5O5S
Molecular Weight:
513.9534
MDL Number:
MFCD22419412
IUPAC Name:
(4-chlorophenyl)methyl 4-[4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C23H20ClN5O5S/c24-15-3-1-14(2-4-15)12-33-23(32)29-9-7-28(8-10-29)21-26-18(13-35-21)20(30)25-16-5-6-17-19(11-16)34-22(31)27-17/h1-6,11,13H,7-10,12H2,(H,25,30)(H,27,31)
InChI Key:
KHGZPKKPXUKXFB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COC(=O)N1CCN(CC1)c1scc(n1)C(=O)Nc1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
792
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.087g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
513.953g/mol
Monoisotopic Mass:
513.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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