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Home > Nitro Compounds > 866018-59-9
866018-59-9 | 5-[5-(morpholin-4-yl)-2-nitrophenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS No: 866018-59-9 Catalog No: AG00IU5M MDL No:MFCD03848532
Product Description
Catalog Number:
AG00IU5M
Chemical Name:
5-[5-(morpholin-4-yl)-2-nitrophenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS Number:
866018-59-9
Molecular Formula:
C17H14N6O3
Molecular Weight:
350.3315
MDL Number:
MFCD03848532
IUPAC Name:
5-(5-morpholin-4-yl-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C17H14N6O3/c18-10-12-11-19-22-4-3-15(20-17(12)22)14-9-13(1-2-16(14)23(24)25)21-5-7-26-8-6-21/h1-4,9,11H,5-8H2
InChI Key:
QILCPVWZWZOWMM-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1nc(cc2)c1cc(ccc1[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.113g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.338g/mol
Monoisotopic Mass:
350.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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