Chemical ID: 7690844

c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5cccc(c5)Cl)n6cccc6)C#N)C(=O)N2
Chemical ID:
7690844
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5cccc(c5)Cl)n6cccc6)C#N)C(=O)N2
InChi [?]:
InChI=1/C27H19ClN4O2/c28-17-7-5-8-18(15-17)32-22-11-6-12-23(33)24(22)27(19-9-1-2-10-21(19)30-26(27)34)20(16-29)25(32)31-13-3-4-14-31/h1-5,7-10,13-15H,6,11-12H2,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,2,27,28,20,16,21,19,6,3,17,15,26,29,23,30,22,18,5,8,4,11,13,12,9,32,7,24,31,34,25,10,14,33/E:(3,4)(13,14)/rA:34cCCCCCCCCCNCCCOCCCCCCCCCClNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s7d11;s12;d13;s13;s15;s11s16;s10;s18;d19;s20;d21;d18s22;s22;s9;s25;d26;s27;s25d28;s8;t30;s7;d32;s4s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H19ClN4O2
All Atoms:53
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:11.5906
Area:616.749
Solvation:-3.82813
Coulombic:-43.1419
Bond Count [?]
All:39
Single:26
Double:12
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.56
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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