Chemical ID: 6475957

CC1(OC(=O)C(=CNc2cc(ccc2Oc3ccc4ccccc4c3)C(F)(F)F)C(=O)O1)C
Chemical ID:
6475957
Name [?]:
2,2-dimethyl-5-[[2-(2-naphthyloxy)-5-(trifluoromethyl)phenyl]aminomethylene]-1,3-dioxane-4,6-dione
SMILES [?]:
CC1(OC(=O)C(=CNc2cc(ccc2Oc3ccc4ccccc4c3)C(F)(F)F)C(=O)O1)C
InChi [?]:
InChI=1/C24H18F3NO5/c1-23(2)32-21(29)18(22(30)33-23)13-28-19-12-16(24(25,26)27)8-10-20(19)31-17-9-7-14-5-3-4-6-15(14)11-17/h3-13,28H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,21,22,20,23,18,12,17,13,25,10,7,19,24,11,16,6,9,14,4,30,2,26,27,28,29,8,5,31,15,3,32/E:(1,2)(21,22)(25,26,27)(29,30)(32,33)/rA:33nCCOCOCCNCCCCCCOCCCCCCCCCCCFFFCOOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s11;s26;s26;s26;s6;d30;s2s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18F3NO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.2032
Area:642.858
Solvation:-4.86828
Coulombic:-76.7477
Bond Count [?]
All:36
Single:25
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:457.399
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.14
LogP (Chemaxon):5.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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