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606083-40-3 | 2(1H)-Quinoxalinone,4-[[4-(2-benzothiazolyl)-1-piperidinyl]acetyl]-3,4-dihydro-(9CI)
CAS No: 606083-40-3 Catalog No: AG00EY8H MDL No:
Product Description
Catalog Number:
AG00EY8H
Chemical Name:
2(1H)-Quinoxalinone,4-[[4-(2-benzothiazolyl)-1-piperidinyl]acetyl]-3,4-dihydro-(9CI)
CAS Number:
606083-40-3
IUPAC Name:
4-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
InChI:
InChI=1S/C22H22N4O2S/c27-20-13-26(18-7-3-1-5-16(18)23-20)21(28)14-25-11-9-15(10-12-25)22-24-17-6-2-4-8-19(17)29-22/h1-8,15H,9-14H2,(H,23,27)
InChI Key:
QLQDZLBHMRIJJP-UHFFFAOYSA-N
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.146g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.504g/mol
Monoisotopic Mass:
406.146g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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