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1394854-62-6 | Benzamide, N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl]-4-(3,5-dimethyl-1-piperazinyl)-
CAS No: 1394854-62-6 Catalog No: AG001B3O MDL No:
Product Description
Catalog Number:
AG001B3O
Chemical Name:
Benzamide, N-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl]-4-(3,5-dimethyl-1-piperazinyl)-
CAS Number:
1394854-62-6
Molecular Formula:
C26H33N5O3
Molecular Weight:
463.5719
IUPAC Name:
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
InChI:
InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-12,14,17-18,27H,5,8,13,15-16H2,1-4H3,(H,28,30,32)/t17-,18+
InChI Key:
HBCLKDXKAPXHCN-HDICACEKSA-N
SMILES:
COc1cc(CCc2n[nH]c(c2)NC(=O)c2ccc(cc2)N2CC(C)NC(C2)C)cc(c1)OC
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
463.258g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
463.582g/mol
Monoisotopic Mass:
463.258g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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