Chemical ID: 7692775

c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5cc(cc(c5)Cl)Cl)n6cccc6)C#N)C(=O)N2
Chemical ID:
7692775
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5cc(cc(c5)Cl)Cl)n6cccc6)C#N)C(=O)N2
InChi [?]:
InChI=1/C27H18Cl2N4O2/c28-16-12-17(29)14-18(13-16)33-22-8-5-9-23(34)24(22)27(19-6-1-2-7-21(19)31-26(27)35)20(15-30)25(33)32-10-3-4-11-32/h1-4,6-7,10-14H,5,8-9H2,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,2,28,29,16,6,3,17,15,27,30,21,19,23,31,20,22,18,5,8,4,11,13,12,9,33,7,25,24,32,35,26,10,14,34/E:(3,4)(10,11)(13,14)(16,17)(28,29)/rA:35cCCCCCCCCCNCCCOCCCCCCCCCClClNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s7d11;s12;d13;s13;s15;s11s16;s10;s18;d19;s20;d21;d18s22;s22;s20;s9;s26;d27;s28;s26d29;s8;t31;s7;d33;s4s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H18Cl2N4O2
All Atoms:53
Heavy Atoms:35
Chiral Atoms:None
ZAP Information [?]
Total:12.4518
Area:649.812
Solvation:-3.79352
Coulombic:-42.9917
Bond Count [?]
All:40
Single:27
Double:12
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.19
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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