Chemical ID: 3944696

c1ccc2c(c1)cc(c(=O)o2)C(=O)N(Cc3ccc(cc3)F)Cc4ccc(cc4)F
Chemical ID:
3944696
Name [?]:
N,N-bis[(4-fluorophenyl)methyl]-2-oxo-chromene-3-carboxamide
SMILES [?]:
c1ccc2c(c1)cc(c(=O)o2)C(=O)N(Cc3ccc(cc3)F)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C24H17F2NO3/c25-19-9-5-16(6-10-19)14-27(15-17-7-11-20(26)12-8-17)23(28)21-13-18-3-1-2-4-22(18)30-24(21)29/h1-13H,14-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,25,29,18,20,26,28,7,15,23,16,24,5,19,27,8,4,12,9,22,30,14,13,10,11/E:(5,6,7,8)(9,10,11,12)(14,15)(16,17)(19,20)(25,26)/rA:30nCCCCCCCCCOOCONCCCCCCCFCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17F2NO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.81529
Area:578.272
Solvation:-5.64151
Coulombic:-45.1107
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:405.394
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.98
LogP (Chemaxon):5.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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