Chemical ID: 7696869

CN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccc(c(c5)Cl)F)n6cccc6)C#N
Chemical ID:
7696869
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccc(c(c5)Cl)F)n6cccc6)C#N
InChi [?]:
InChI=1/C28H20ClFN4O2/c1-32-22-8-3-2-7-18(22)28(27(32)36)19(16-31)26(33-13-4-5-14-33)34(17-11-12-21(30)20(29)15-17)23-9-6-10-24(35)25(23)28/h2-5,7-8,11-15H,6,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,32,33,20,7,4,21,19,23,24,31,34,27,35,22,8,12,26,25,3,15,17,16,13,10,9,28,29,36,2,30,14,18,11/E:(4,5)(13,14)/rA:36cCNCCCCCCCCOCCNCCCOCCCCCCCCCClFNCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;d12;s13;s14;s9d15;s16;d17;s17;s19;s15s20;s14;s22;d23;s24;d25;d22s26;s26;s25;s13;s30;d31;s32;s30d33;s12;t35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H20ClFN4O2
All Atoms:56
Heavy Atoms:36
Chiral Atoms:None
ZAP Information [?]
Total:11.2261
Area:641.462
Solvation:-4.81046
Coulombic:-41.5195
Bond Count [?]
All:41
Single:28
Double:12
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.87
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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