Chemical ID: 7436930

c1cc2c(cc1F)C3(C(=C(N(C4=C3C(=O)CCC4)c5ccc(cc5F)F)N)C#N)C(=O)N2
Chemical ID:
7436930
Name [?]:
None
SMILES [?]:
c1cc2c(cc1F)C3(C(=C(N(C4=C3C(=O)CCC4)c5ccc(cc5F)F)N)C#N)C(=O)N2
InChi [?]:
InChI=1/C23H15F3N4O2/c24-11-4-6-16-13(8-11)23(22(32)29-16)14(10-27)21(28)30(17-7-5-12(25)9-15(17)26)18-2-1-3-19(31)20(18)23/h4-9H,1-3,28H2,(H,29,32)
InChi Info:
AuxInfo=1/1/N:17,18,16,1,21,2,20,5,23,28,6,22,4,9,24,3,19,12,14,13,10,30,8,7,26,25,29,27,32,11,15,31/rA:32cCCCCCCFCCCNCCCOCCCCCCCCCFFNCNCON/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;s11;s8d12;s13;d14;s14;s16;s12s17;s11;s19;d20;s21;d22;d19s23;s24;s22;s10;s9;t28;s8;d30;s3s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H15F3N4O2
All Atoms:47
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:7.96177
Area:555.911
Solvation:-5.93601
Coulombic:-62.0655
Bond Count [?]
All:36
Single:25
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:436.386
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.37
LogP (Chemaxon):3.5

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Descriptor Annotations

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