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1144035-27-7 | 1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (4-chloro-2-methylphenyl)methyl ester
CAS No: 1144035-27-7 Catalog No: AG000B8Z MDL No:
Product Description
Catalog Number:
AG000B8Z
Chemical Name:
1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (4-chloro-2-methylphenyl)methyl ester
CAS Number:
1144035-27-7
Molecular Formula:
C23H24ClN3O5
Molecular Weight:
457.9068
IUPAC Name:
(4-chloro-2-methylphenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
InChI:
InChI=1S/C23H24ClN3O5/c1-15-12-18(24)4-2-17(15)14-31-23(30)27-10-8-26(9-11-27)7-6-20(28)16-3-5-19-21(13-16)32-22(29)25-19/h2-5,12-13H,6-11,14H2,1H3,(H,25,29)
InChI Key:
UVVQHPYQHLITDN-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)COC(=O)N1CCN(CC1)CCC(=O)c1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.14g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
457.911g/mol
Monoisotopic Mass:
457.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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