Chemical ID: 5972482

Cc1ccc2c(c1)c(=O)c(co2)CN(Cc3ccccc3)C(=O)c4cccc(c4)F
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

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Descriptor Annotations

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