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Home > Nitro Compounds > 866133-88-2
866133-88-2 | 2-[2-(4-methylpiperazin-1-yl)ethyl]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS No: 866133-88-2 Catalog No: AG00IVPC MDL No:MFCD03848685
Product Description
Catalog Number:
AG00IVPC
Chemical Name:
2-[2-(4-methylpiperazin-1-yl)ethyl]-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
CAS Number:
866133-88-2
Molecular Formula:
C15H20N4O4
Molecular Weight:
320.3437
MDL Number:
MFCD03848685
IUPAC Name:
2-[2-(4-methylpiperazin-1-yl)ethyl]-7-nitro-4H-1,4-benzoxazin-3-one
InChI:
InChI=1S/C15H20N4O4/c1-17-6-8-18(9-7-17)5-4-13-15(20)16-12-3-2-11(19(21)22)10-14(12)23-13/h2-3,10,13H,4-9H2,1H3,(H,16,20)
InChI Key:
GBOHLOVZXPKZEE-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCC1Oc2cc(ccc2NC1=O)[N+](=O)[O-]
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.349g/mol
Monoisotopic Mass:
320.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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