Chemical ID: 7688506

c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5ccc(c(c5)Cl)F)n6cccc6)C#N)C(=O)N2
Chemical ID:
7688506
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3(C(=C(N(C4=C3C(=O)CCC4)c5ccc(c(c5)Cl)F)n6cccc6)C#N)C(=O)N2
InChi [?]:
InChI=1/C27H18ClFN4O2/c28-19-14-16(10-11-20(19)29)33-22-8-5-9-23(34)24(22)27(17-6-1-2-7-21(17)31-26(27)35)18(15-30)25(33)32-12-3-4-13-32/h1-4,6-7,10-14H,5,8-9H2,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,2,28,29,16,6,3,17,15,19,20,27,30,23,31,18,5,8,22,21,4,11,13,12,9,33,7,24,25,32,35,26,10,14,34/E:(3,4)(12,13)/rA:35cCCCCCCCCCNCCCOCCCCCCCCCClFNCCCCCNCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;s7d11;s12;d13;s13;s15;s11s16;s10;s18;d19;s20;d21;d18s22;s22;s21;s9;s26;d27;s28;s26d29;s8;t31;s7;d33;s4s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H18ClFN4O2
All Atoms:53
Heavy Atoms:35
Chiral Atoms:None
ZAP Information [?]
Total:10.7997
Area:621.867
Solvation:-4.74694
Coulombic:-45.9703
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:4.72
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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