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Chemical ID: 5287388
Chemical ID:
5287388
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C=CN3C2C4C(C3C(=O)c5ccco5)C(=O)N(C4=O)c6ccccc6C(F)(F)F
InChi [?]:
InChI=1/C26H17F3N2O4/c27-26(28,29)16-8-3-4-9-17(16)31-24(33)19-20(25(31)34)22(23(32)18-10-5-13-35-18)30-12-11-14-6-1-2-7-15(14)21(19)30/h1-13,19-22H
InChi Info:
AuxInfo=1/0/N:1,2,29,28,18,6,3,30,27,17,7,8,19,5,4,31,26,16,11,12,10,13,14,24,21,32,33,34,35,9,23,15,25,22,20/E:(27,28,29)/rA:35cCCCCCCCCNCCCCCOCCCCOCONCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;s11;s9s12;s13;d14;s14;d16;s17;d18;s16s19;s12;d21;s21;s11s23;d24;s23;s26;d27;s28;d29;d26s30;s31;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H17F3N2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 8.76596 |
Area: | 576.514 |
Solvation: | -5.64688 |
Coulombic: | -64.1834 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 478.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.72 |
LogP (Chemaxon): | 3.71 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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