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1144035-51-7 | 1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (3-chlorophenyl)methyl ester
CAS No: 1144035-51-7 Catalog No: AG000B8W MDL No:
Product Description
Catalog Number:
AG000B8W
Chemical Name:
1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (3-chlorophenyl)methyl ester
CAS Number:
1144035-51-7
Molecular Formula:
C22H22ClN3O5
Molecular Weight:
443.8802
IUPAC Name:
(3-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
InChI:
InChI=1S/C22H22ClN3O5/c23-17-3-1-2-15(12-17)14-30-22(29)26-10-8-25(9-11-26)7-6-19(27)16-4-5-18-20(13-16)31-21(28)24-18/h1-5,12-13H,6-11,14H2,(H,24,28)
InChI Key:
BDRMFXSAVGXBRB-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COC(=O)N1CCN(CC1)CCC(=O)c1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.125g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.884g/mol
Monoisotopic Mass:
443.125g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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