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1144035-02-8 | 1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (4-chlorophenyl)methyl ester
CAS No: 1144035-02-8 Catalog No: AG000B91 MDL No:
Product Description
Catalog Number:
AG000B91
Chemical Name:
1-Piperazinecarboxylic acid, 4-[3-(2,3-dihydro-2-oxo-6-benzoxazolyl)-3-oxopropyl]-, (4-chlorophenyl)methyl ester
CAS Number:
1144035-02-8
Molecular Formula:
C22H22ClN3O5
Molecular Weight:
443.8802
IUPAC Name:
(4-chlorophenyl)methyl 4-[3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate
InChI:
InChI=1S/C22H22ClN3O5/c23-17-4-1-15(2-5-17)14-30-22(29)26-11-9-25(10-12-26)8-7-19(27)16-3-6-18-20(13-16)31-21(28)24-18/h1-6,13H,7-12,14H2,(H,24,28)
InChI Key:
RFBDVQFCNIBMMT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)COC(=O)N1CCN(CC1)CCC(=O)c1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
662
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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