Chemical ID: 4801580

COc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccccc5)F
Chemical ID:
4801580
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccccc5)F
InChi [?]:
InChI=1/C25H18FNO4/c1-30-18-10-7-16(8-11-18)22-21-23(28)19-13-17(26)9-12-20(19)31-24(21)25(29)27(22)14-15-5-3-2-4-6-15/h2-13,22H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,26,30,5,7,16,4,8,17,14,24,25,6,15,3,13,18,10,9,11,20,21,31,23,12,22,2,19/E:(3,4)(5,6)(7,8)(10,11)/rA:31cCOCCCCCCCCCOCCCCCCOCCONCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;s24;s25;d26;s27;d28;d25s29;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18FNO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.59676
Area:604.831
Solvation:-5.52402
Coulombic:-46.4789
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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