Chemical ID: 5287388

c1ccc2c(c1)C=CN3C2C4C(C3C(=O)c5ccco5)C(=O)N(C4=O)c6ccccc6C(F)(F)F
Chemical ID:
5287388
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C=CN3C2C4C(C3C(=O)c5ccco5)C(=O)N(C4=O)c6ccccc6C(F)(F)F
InChi [?]:
InChI=1/C26H17F3N2O4/c27-26(28,29)16-8-3-4-9-17(16)31-24(33)19-20(25(31)34)22(23(32)18-10-5-13-35-18)30-12-11-14-6-1-2-7-15(14)21(19)30/h1-13,19-22H
InChi Info:
AuxInfo=1/0/N:1,2,29,28,18,6,3,30,27,17,7,8,19,5,4,31,26,16,11,12,10,13,14,24,21,32,33,34,35,9,23,15,25,22,20/E:(27,28,29)/rA:35cCCCCCCCCNCCCCCOCCCCOCONCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;s11;s9s12;s13;d14;s14;d16;s17;d18;s16s19;s12;d21;s21;s11s23;d24;s23;s26;d27;s28;d29;d26s30;s31;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H17F3N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:5
ZAP Information [?]
Total:8.76596
Area:576.514
Solvation:-5.64688
Coulombic:-64.1834
Bond Count [?]
All:40
Single:28
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:478.419
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):3.71

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Descriptor Annotations

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