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Chemical ID: 7296985
Chemical ID:
7296985
Name [?]:
None
SMILES [?]:
CC(c1ccc(cc1)F)NC(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4
InChi [?]:
InChI=1/C24H24FN3O4/c1-15(16-6-9-18(25)10-7-16)26-22(29)14-32-24(31)17-8-11-19-20(13-17)27-21-5-3-2-4-12-28(21)23(19)30/h6-11,13,15H,2-5,12,14H2,1H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,30,31,29,32,4,8,18,5,7,19,28,22,13,2,3,17,6,20,21,24,11,26,15,9,10,23,25,12,27,16,14/E:(6,7)(9,10)/rA:32cCCCCCCCCFNCOCOCOCCCCCCNCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;d23;s24;s20s25;d26;s25;s28;s29;s30;s24s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24FN3O4 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5528 |
Area: | 663.682 |
Solvation: | -5.03928 |
Coulombic: | -66.9449 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 437.464 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.27 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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