Chemical ID: 4491682

c1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccccc5F
Chemical ID:
4491682
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccccc5F
InChi [?]:
InChI=1/C24H15F2NO3/c25-15-10-11-19-17(12-15)22(28)20-21(16-8-4-5-9-18(16)26)27(24(29)23(20)30-19)13-14-6-2-1-3-7-14/h1-12,21H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,26,27,3,5,25,28,16,17,14,7,4,15,24,13,29,18,10,9,11,20,21,23,30,8,12,22,19/E:(2,3)(6,7)/rA:30cCCCCCCCNCCCOCCCCCCOCCOFCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H15F2NO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.09628
Area:565.917
Solvation:-5.05163
Coulombic:-43.1543
Bond Count [?]
All:34
Single:22
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:403.378
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.45
LogP (Chemaxon):4.71

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Experimental Annotations

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Descriptor Annotations

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