Chemical ID: 5270985

c1cc(oc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccc(cc5)OCC(=O)N
Chemical ID:
5270985
Name [?]:
None
SMILES [?]:
c1cc(oc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccc(cc5)OCC(=O)N
InChi [?]:
InChI=1/C24H17FN2O6/c25-14-5-8-18-17(10-14)22(29)20-21(13-3-6-15(7-4-13)32-12-19(26)28)27(24(30)23(20)33-18)11-16-2-1-9-31-16/h1-10,21H,11-12H2,(H2,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,24,28,15,25,27,16,5,13,6,30,23,14,26,3,12,17,31,9,8,10,19,20,22,33,7,32,11,21,4,29,18/E:(3,4)(6,7)/rA:33cCCCOCCNCCCOCCCCCCOCCOFCCCCCCOCCON/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s26;s29;s30;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17FN2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:6.56172
Area:616.744
Solvation:-8.85688
Coulombic:-74.8737
Bond Count [?]
All:37
Single:25
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:448.4
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.56
LogP (Chemaxon):1.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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