Chemical ID: 7436928

c1cc(cc(c1)F)N2C3=C(C(=O)CCC3)C4(c5cc(ccc5NC4=O)F)C(=C2N)C#N
Chemical ID:
7436928
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)F)N2C3=C(C(=O)CCC3)C4(c5cc(ccc5NC4=O)F)C(=C2N)C#N
InChi [?]:
InChI=1/C23H16F2N4O2/c24-12-3-1-4-14(9-12)29-18-5-2-6-19(30)20(18)23(16(11-26)21(29)27)15-10-13(25)7-8-17(15)28-22(23)31/h1,3-4,7-10H,2,5-6,27H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,14,6,2,15,13,20,21,4,18,30,5,19,3,17,27,22,9,11,10,28,24,16,7,26,31,29,23,8,12,25/rA:31cCCCCCCFNCCCOCCCCCCCCCCNCOFCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s11;s13;s9s14;s10;s16;s17;d18;s19;d20;d17s21;s22;s16s23;d24;s19;s16;s8d27;s28;s27;t30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16F2N4O2
All Atoms:47
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.66912
Area:552.138
Solvation:-5.13434
Coulombic:-59.16
Bond Count [?]
All:35
Single:24
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:418.396
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.21
LogP (Chemaxon):3.36

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Descriptor Annotations

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