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1144036-95-2 | 1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (5-chloro-2-methoxyphenyl)methyl ester
CAS No: 1144036-95-2 Catalog No: AG000B8T MDL No:
Product Description
Catalog Number:
AG000B8T
Chemical Name:
1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (5-chloro-2-methoxyphenyl)methyl ester
CAS Number:
1144036-95-2
Molecular Formula:
C23H24ClN3O6
Molecular Weight:
473.9062
IUPAC Name:
(5-chloro-2-methoxyphenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
InChI:
InChI=1S/C23H24ClN3O6/c1-31-20-5-3-17(24)12-16(20)14-32-23(30)27-10-8-26(9-11-27)7-6-19(28)15-2-4-18-21(13-15)33-22(29)25-18/h2-5,12-13H,6-11,14H2,1H3,(H,25,29)
InChI Key:
DYIPXUAIGKBFTG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1COC(=O)N1CCN(CC1)CCC(=O)c1ccc2c(c1)oc(=O)[nH]2)Cl
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.135g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
473.91g/mol
Monoisotopic Mass:
473.135g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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