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Home > Nitro Compounds > 732250-13-4
732250-13-4 | 1,3-dimethyl-5-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
CAS No: 732250-13-4 Catalog No: AG00IYAE MDL No:MFCD03703794
Product Description
Catalog Number:
AG00IYAE
Chemical Name:
1,3-dimethyl-5-{[4-(morpholin-4-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
CAS Number:
732250-13-4
Molecular Formula:
C17H18N4O6
Molecular Weight:
374.3480
MDL Number:
MFCD03703794
IUPAC Name:
1,3-dimethyl-5-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C17H18N4O6/c1-18-15(22)12(16(23)19(2)17(18)24)9-11-3-4-13(14(10-11)21(25)26)20-5-7-27-8-6-20/h3-4,9-10H,5-8H2,1-2H3
InChI Key:
CPXZGMBARJZADU-UHFFFAOYSA-N
SMILES:
O=C1N(C)C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)C(=O)N1C
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.123g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.353g/mol
Monoisotopic Mass:
374.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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