Chemical ID: 4696473

c1cc(cc(c1)F)CN2c3cc(ccc3N4CCCC4C2=O)C(F)(F)F
Chemical ID:
4696473
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)F)CN2c3cc(ccc3N4CCCC4C2=O)C(F)(F)F
InChi [?]:
InChI=1/C19H16F4N2O/c20-14-4-1-3-12(9-14)11-25-17-10-13(19(21,22)23)6-7-15(17)24-8-2-5-16(24)18(25)26/h1,3-4,6-7,9-10,16H,2,5,8,11H2
InChi Info:
AuxInfo=1/0/N:1,18,2,6,19,13,14,17,4,11,8,3,12,5,15,20,10,21,23,7,24,25,26,16,9,22/E:(21,22,23)/rA:26cCCCCCCFCNCCCCCCNCCCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;s9s20;d21;s12;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16F4N2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:8.58224
Area:487.102
Solvation:-3.59529
Coulombic:-46.8817
Bond Count [?]
All:29
Single:22
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:364.337
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.49
LogP (Chemaxon):4.44

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Descriptor Annotations

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