Chemical ID: 4793869

COc1ccc(cc1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)F
Chemical ID:
4793869
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)F
InChi [?]:
InChI=1/C25H18FNO4/c1-30-18-12-6-15(7-13-18)14-27-22(16-8-10-17(26)11-9-16)21-23(28)19-4-2-3-5-20(19)31-24(21)25(27)29/h2-13,22H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,19,5,7,26,30,27,29,4,8,9,6,25,28,3,15,20,12,11,13,22,23,31,10,14,24,2,21/E:(6,7)(8,9)(10,11)(12,13)/rA:31cCOCCCCCCCNCCCOCCCCCCOCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s10s22;d23;s11;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18FNO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.73813
Area:561.807
Solvation:-5.30705
Coulombic:-47.564
Bond Count [?]
All:35
Single:23
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:415.413
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):4.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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