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Chemical ID: 5607725
Chemical ID:
5607725
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)N(CCCN2C(=O)c3cccc4c3c(ccc4)C2=O)C(=O)c5ccc(cc5)F
InChi [?]:
InChI=1/C29H23FN2O4/c1-36-23-15-13-22(14-16-23)31(27(33)20-9-11-21(30)12-10-20)17-4-18-32-28(34)24-7-2-5-19-6-3-8-25(26(19)24)29(32)35/h2-3,5-16H,4,17-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,24,11,19,25,17,23,31,35,32,34,5,7,4,8,10,12,20,30,33,6,3,16,22,21,28,14,26,36,9,13,29,15,27,2/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(24,25)(28,29)(34,35)/rA:36nCOCCCCCCNCCCNCOCCCCCCCCCCCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s13s22;d26;s9;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H23FN2O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6835 |
Area: | 674.817 |
Solvation: | -5.18693 |
Coulombic: | -57.1909 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 482.502 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.76 |
LogP (Chemaxon): | 4.26 |
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
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