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77576-48-8 | N-(2-ethoxybenzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2 -yl]propanamide, oxalic acid
CAS No: 77576-48-8 Catalog No: AG00GGS7 MDL No:
Product Description
Catalog Number:
AG00GGS7
Chemical Name:
N-(2-ethoxybenzothiazol-6-yl)-N-[1-(4-phenethylpiperazin-1-yl)propan-2 -yl]propanamide, oxalic acid
CAS Number:
77576-48-8
IUPAC Name:
N-(2-ethoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide;oxalic acid
InChI:
InChI=1S/C27H36N4O2S.2C2H2O4/c1-4-26(32)31(23-11-12-24-25(19-23)34-27(28-24)33-5-2)21(3)20-30-17-15-29(16-18-30)14-13-22-9-7-6-8-10-22;2*3-1(4)2(5)6/h6-12,19,21H,4-5,13-18,20H2,1-3H3;2*(H,3,4)(H,5,6)
InChI Key:
PMQCCBRPKQGFLC-UHFFFAOYSA-N
Properties
Complexity:
695
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
660.247g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
660.739g/mol
Monoisotopic Mass:
660.247g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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