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101976-06-1 | 1-Piperazinecarboxylic acid, 4-[(1-naphthalenylamino)carbonyl]-, ethyl ester
CAS No: 101976-06-1 Catalog No: AG00064E MDL No:
Product Description
Catalog Number:
AG00064E
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(1-naphthalenylamino)carbonyl]-, ethyl ester
CAS Number:
101976-06-1
Molecular Formula:
C18H21N3O3
Molecular Weight:
327.3776
IUPAC Name:
ethyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
InChI:
InChI=1S/C18H21N3O3/c1-2-24-18(23)21-12-10-20(11-13-21)17(22)19-16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3,(H,19,22)
InChI Key:
ZMPLXBACRCPNKB-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)C(=O)Nc1cccc2c1cccc2
NSC Number:
663635
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.384g/mol
Monoisotopic Mass:
327.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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