Chemical ID: 7696852

CC1=C(C(C(=C(O1)n2cccc2)C#N)c3ccc(c(c3)OC)OCc4ccc(cc4)F)C(=O)OC
Chemical ID:
7696852
Name [?]:
None
SMILES [?]:
CC1=C(C(C(=C(O1)n2cccc2)C#N)c3ccc(c(c3)OC)OCc4ccc(cc4)F)C(=O)OC
InChi [?]:
InChI=1/C27H23FN2O5/c1-17-24(27(31)33-3)25(21(15-29)26(35-17)30-12-4-5-13-30)19-8-11-22(23(14-19)32-2)34-16-18-6-9-20(28)10-7-18/h4-14,25H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,35,10,11,26,30,16,27,29,17,9,12,20,13,24,2,25,15,28,5,18,19,3,4,6,32,31,14,8,33,21,34,23,7/E:(4,5)(6,7)(9,10)(12,13)/rA:35cCCCCCCONCCCCCNCCCCCCOCOCCCCCCCFCOOC/rB:s1;d2;s3;s4;d5;s2s6;s6;s8;d9;s10;s8d11;s5;t13;s4;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;s28;s3;d32;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23FN2O5
All Atoms:58
Heavy Atoms:35
Chiral Atoms:None
ZAP Information [?]
Total:9.38205
Area:685.183
Solvation:-7.74753
Coulombic:-53.5947
Bond Count [?]
All:38
Single:26
Double:11
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.51
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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