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Chemical ID: 5972482
Chemical ID:
5972482
Name [?]:
N-benzyl-3-fluoro-N-[(6-methyl-4-oxo-chromen-3-yl)methyl]benzamide
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(co2)CN(Cc3ccccc3)C(=O)c4cccc(c4)F
InChi [?]:
InChI=1/C25H20FNO3/c1-17-10-11-23-22(12-17)24(28)20(16-30-23)15-27(14-18-6-3-2-4-7-18)25(29)19-8-5-9-21(26)13-19/h2-13,16H,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,26,17,21,25,27,3,4,7,29,15,13,11,2,16,24,10,28,6,5,8,22,30,14,9,23,12/E:(3,4)(6,7)/rA:30nCCCCCCCCOCCOCNCCCCCCCCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s10;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20FNO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89455 |
Area: | 592.763 |
Solvation: | -4.92453 |
Coulombic: | -38.2094 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 401.43 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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