Chemical ID: 7436049

c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5cccc(c5)C(F)(F)F)N)C#N)C(=O)N2
Chemical ID:
7436049
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5cccc(c5)C(F)(F)F)N)C#N)C(=O)N2
InChi [?]:
InChI=1/C24H17F3N4O2/c25-24(26,27)13-5-3-6-14(11-13)31-18-9-4-10-19(32)20(18)23(16(12-28)21(31)29)15-7-1-2-8-17(15)30-22(23)33/h1-3,5-8,11H,4,9-10,29H2,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,2,20,16,21,19,6,3,17,15,23,29,22,18,5,8,4,11,13,12,9,31,7,24,25,26,27,30,28,33,10,14,32/E:(25,26,27)/rA:33cCCCCCCCCCNCCCOCCCCCCCCCCFFFNCNCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s7d11;s12;d13;s13;s15;s11s16;s10;s18;d19;s20;d21;d18s22;s22;s24;s24;s24;s9;s8;t29;s7;d31;s4s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17F3N4O2
All Atoms:50
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.3764
Area:583.248
Solvation:-4.20478
Coulombic:-71.7166
Bond Count [?]
All:37
Single:26
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:450.413
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.81
LogP (Chemaxon):3.96

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