Chemical ID: 6489685

CN(C)c1ccc(cc1[N+](=O)[O-])C=CC2CC(=NC(=O)N2)C(F)(F)F
Chemical ID:
6489685
Name [?]:
4-[2-(4-dimethylamino-3-nitro-phenyl)vinyl]-6-(trifluoromethyl)-4,5-dihydro-3H-pyrimidin-2-one
SMILES [?]:
CN(C)c1ccc(cc1[N+](=O)[O-])C=CC2CC(=NC(=O)N2)C(F)(F)F
InChi [?]:
InChI=1/C15H15F3N4O3/c1-21(2)11-6-4-9(7-12(11)22(24)25)3-5-10-8-13(15(16,17)18)20-14(23)19-10/h3-7,10H,8H2,1-2H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,3,13,6,14,5,8,16,7,15,4,9,17,19,22,23,24,25,21,18,2,10,20,11,12/E:(1,2)(16,17,18)(24,25)/CRV:22.5/rA:25cCNCCCCCCCN+OO-CCCCCNCONCFFF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s7;w13;s14;s15;s16;d17;s18;d19;s15s19;s17;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15F3N4O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:2.61597
Area:519.327
Solvation:-10.3672
Coulombic:-64.6606
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:356.3
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.18
LogP (Chemaxon):3.93

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Descriptor Annotations

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