Chemical ID: 4810066

Cc1ccc(cc1)CN2C(=O)c3c(c(=O)c4cc(ccc4o3)F)C25c6ccccc6N(C5=O)C
Chemical ID:
4810066
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2C(=O)c3c(c(=O)c4cc(ccc4o3)F)C25c6ccccc6N(C5=O)C
InChi [?]:
InChI=1/C27H19FN2O4/c1-15-7-9-16(10-8-15)14-30-25(32)24-22(23(31)18-13-17(28)11-12-21(18)34-24)27(30)19-5-3-4-6-20(19)29(2)26(27)33/h3-13H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,34,27,28,26,29,3,7,4,6,19,20,17,8,2,5,18,16,25,30,21,13,14,12,10,32,24,23,31,9,15,11,33,22/E:(7,8)(9,10)/rA:34cCCCCCCCCNCOCCCOCCCCCCOFCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;d12;s13;d14;s14;s16;d17;s18;d19;d16s20;s12s21;s18;s9s13;s24;s25;d26;s27;d28;d25s29;s30;s24s31;d32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H19FN2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.2056
Area:609.362
Solvation:-5.02845
Coulombic:-55.2434
Bond Count [?]
All:39
Single:26
Double:13
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:454.449
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.84
LogP (Chemaxon):3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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