Chemical ID: 6143458

CCN1c2ccc(c3c2c(ccc3)C1=O)NC(=O)c4cc(c(c(c4F)F)F)F
Chemical ID:
6143458
Name [?]:
None
SMILES [?]:
CCN1c2ccc(c3c2c(ccc3)C1=O)NC(=O)c4cc(c(c(c4F)F)F)F
InChi [?]:
InChI=1/C20H12F4N2O2/c1-2-26-14-7-6-13(9-4-3-5-10(15(9)14)20(26)28)25-19(27)11-8-12(21)17(23)18(24)16(11)22/h3-8H,2H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,6,5,20,8,10,19,21,7,4,9,24,22,23,17,14,28,25,27,26,16,3,18,15/rA:28nCCNCCCCCCCCCCCONCOCCCCCCFFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3s10;d14;s7;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s23;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12F4N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.10781
Area:535.446
Solvation:-7.27834
Coulombic:-47.976
Bond Count [?]
All:31
Single:21
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:388.315
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):3.78

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Descriptor Annotations

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