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Chemical ID: 5278358
Chemical ID:
5278358
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cc2c(nc3c(cccn3c2=O)C)n(c1=NC(=O)c4c(cccc4F)F)CC(C)C
InChi [?]:
InChI=1/C26H24F2N4O4/c1-5-36-26(35)17-12-16-22(29-21-15(4)8-7-11-31(21)25(16)34)32(13-14(2)3)23(17)30-24(33)20-18(27)9-6-10-19(20)28/h6-12,14H,5,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,36,19,2,28,14,13,27,29,15,7,33,34,12,8,6,26,30,25,11,9,21,23,17,4,32,31,10,22,16,20,24,18,5,3/E:(2,3)(9,10)(18,19)(27,28)/rA:36nCCOCOCCCCNCCCCCNCOCNCNCOCCCCCCFFCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s11;d12;s13;d14;s11s15;s8s16;d17;s12;s9;s6s20;w21;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;s26;s20;s33;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24F2N4O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3175 |
Area: | 656.272 |
Solvation: | -5.08929 |
Coulombic: | -70.6005 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 494.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.65 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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