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891016-02-7 | N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
CAS No: 891016-02-7 Catalog No: AG01BV7I MDL No:MFCD14811190
Product Description
Catalog Number:
AG01BV7I
Chemical Name:
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
CAS Number:
891016-02-7
Molecular Formula:
C23H31N3O3S
Molecular Weight:
429.5755
MDL Number:
MFCD14811190
IUPAC Name:
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
InChI:
InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3
InChI Key:
OVTXOMMQHRIKGL-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCN(CC1)C1CCCCC1NS(=O)(=O)c1ccccc1
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.209g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.579g/mol
Monoisotopic Mass:
429.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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