Chemical ID: 7688293

C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccc(cc5)F)n6cccc6)C#N
Chemical ID:
7688293
Name [?]:
None
SMILES [?]:
C#CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)c5ccc(cc5)F)n6cccc6)C#N
InChi [?]:
InChI=1/C30H21FN4O2/c1-2-16-34-24-9-4-3-8-22(24)30(29(34)37)23(19-32)28(33-17-5-6-18-33)35(21-14-12-20(31)13-15-21)25-10-7-11-26(36)27(25)30/h1,3-6,8-9,12-15,17-18H,7,10-11,16H2
InChi Info:
AuxInfo=1/0/N:1,2,8,7,33,34,22,9,6,23,21,26,28,25,29,3,32,35,36,27,24,10,14,5,17,19,18,15,12,11,30,37,31,4,16,20,13/E:(5,6)(12,13)(14,15)(17,18)/rA:37cCCCNCCCCCCCCOCCNCCCOCCCCCCCCCFNCCCCCN/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;d14;s15;s16;s11d17;s18;d19;s19;s21;s17s22;s16;s24;d25;s26;d27;d24s28;s27;s15;s31;d32;s33;s31d34;s14;t36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H21FN4O2
All Atoms:58
Heavy Atoms:37
Chiral Atoms:None
ZAP Information [?]
Total:10.9974
Area:644.039
Solvation:-5.10356
Coulombic:-43.6413
Bond Count [?]
All:42
Single:28
Double:12
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.51
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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