Chemical ID: 4827325

CCSc1c(c(c(c(n1)N)C#N)c2ccc(cc2)C)C#N
Chemical ID:
4827325
Name [?]:
2-amino-6-ethylsulfanyl-4-(p-tolyl)pyridine-3,5-dicarbonitrile
SMILES [?]:
CCSc1c(c(c(c(n1)N)C#N)c2ccc(cc2)C)C#N
InChi [?]:
InChI=1/C16H14N4S/c1-3-21-16-13(9-18)14(12(8-17)15(19)20-16)11-6-4-10(2)5-7-11/h4-7H,3H2,1-2H3,(H2,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,2,15,17,14,18,11,20,16,13,7,5,6,8,4,12,21,10,9,3/E:(4,5)(6,7)/rA:21nCCSCCCCCNNCNCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s7;t11;s6;s13;d14;s15;d16;d13s17;s16;s5;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N4S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.432
Area:499.571
Solvation:-2.05731
Coulombic:-30.0476
Bond Count [?]
All:22
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:294.375
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.12
LogP (Chemaxon):4.02

Name Annotations

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Descriptor Annotations

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