Chemical ID: 4185083

c1cc2n(c(=O)c1)CC3CC2CN(C3)Cc4cc(ccc4F)F
Chemical ID:
4185083
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2CN(C3)Cc4cc(ccc4F)F
InChi [?]:
InChI=1/C18H18F2N2O/c19-15-4-5-16(20)13(7-15)10-21-8-12-6-14(11-21)17-2-1-3-18(23)22(17)9-12/h1-5,7,12,14H,6,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,7,19,20,10,17,14,8,15,12,9,16,11,18,21,3,5,23,22,13,4,6/rA:23cCCCNCOCCCCCCNCCCCCCCCFF/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18F2N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:6.45821
Area:447.337
Solvation:-4.72521
Coulombic:-27.0547
Bond Count [?]
All:26
Single:20
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:316.345
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.02
LogP (Chemaxon):2.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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