Chemical ID: 7440839

c1cc(ccc1N2C3=C(C(=O)CCC3)C4(c5cc(ccc5NC4=O)F)C(=C2N)C#N)F
Chemical ID:
7440839
Name [?]:
None
SMILES [?]:
c1cc(ccc1N2C3=C(C(=O)CCC3)C4(c5cc(ccc5NC4=O)F)C(=C2N)C#N)F
InChi [?]:
InChI=1/C23H16F2N4O2/c24-12-4-7-14(8-5-12)29-18-2-1-3-19(30)20(18)23(16(11-26)21(29)27)15-10-13(25)6-9-17(15)28-22(23)31/h4-10H,1-3,27H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:13,14,12,2,4,19,1,5,20,17,29,3,18,6,16,26,21,8,10,9,27,23,15,31,25,30,28,22,7,11,24/E:(4,5)(7,8)/rA:31cCCCCCCNCCCOCCCCCCCCCCNCOFCCNCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s12;s8s13;s9;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s18;s15;s7d26;s27;s26;t29;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16F2N4O2
All Atoms:47
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.70948
Area:552.673
Solvation:-5.10735
Coulombic:-59.0917
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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