Chemical ID: 4822339

Cc1ccc(cc1)c2c(c(nc(c2C#N)SCC=C)N)C#N
Chemical ID:
4822339
Name [?]:
2-allylsulfanyl-6-amino-4-(p-tolyl)pyridine-3,5-dicarbonitrile
SMILES [?]:
Cc1ccc(cc1)c2c(c(nc(c2C#N)SCC=C)N)C#N
InChi [?]:
InChI=1/C17H14N4S/c1-3-8-22-17-14(10-19)15(13(9-18)16(20)21-17)12-6-4-11(2)5-7-12/h3-7H,1,8H2,2H3,(H2,20,21)
InChi Info:
AuxInfo=1/1/N:19,1,18,3,7,4,6,17,21,14,2,5,9,13,8,10,12,22,15,20,11,16/E:(4,5)(6,7)/rA:22nCCCCCCCCCCNCCCNSCCCNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s13;t14;s12;s16;s17;d18;s10;s9;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.8917
Area:519.949
Solvation:-2.10701
Coulombic:-31.5246
Bond Count [?]
All:23
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.386
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.11
LogP (Chemaxon):4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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