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Chemical ID: 4632689

Cc1ccc(cc1[N+](=O)[O-])c2nc(cc(=O)o2)c3ccc(cc3)N(C)C

Chemical ID:

4632689

Name [?]:

4-(4-dimethylaminophenyl)-2-(4-methyl-3-nitro-phenyl)-1,3-oxazin-6-one

SMILES [?]:

Cc1ccc(cc1[N+](=O)[O-])c2nc(cc(=O)o2)c3ccc(cc3)N(C)C

InChi [?]:

InChI=1/C19H17N3O4/c1-12-4-5-14(10-17(12)22(24)25)19-20-16(11-18(23)26-19)13-6-8-15(9-7-13)21(2)3/h4-11H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,25,26,3,4,19,23,20,22,6,14,2,18,5,21,13,7,15,11,12,24,8,16,9,10,17/E:(2,3)(6,7)(8,9)(24,25)/CRV:22.5/rA:26nCCCCCCCN+OO-CNCCCOOCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;s12;d13;s14;d15;s11s15;s13;s18;d19;s20;d21;d18s22;s21;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇N₃O₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	6.07586
Area:	568.149
Solvation:	-8.12786
Coulombic:	-43.0489

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	351.356
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.98
LogP (Chemaxon):	4.48

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value