Chemical ID: 6194276

Cc1ccc(cc1)c2csc(=Nc3ccc(cc3)C)n2CC=C
Chemical ID:
6194276
Name [?]:
3-allyl-N,4-bis(p-tolyl)thiazol-2-imine
SMILES [?]:
Cc1ccc(cc1)c2csc(=Nc3ccc(cc3)C)n2CC=C
InChi [?]:
InChI=1/C20H20N2S/c1-4-13-22-19(17-9-5-15(2)6-10-17)14-23-20(22)21-18-11-7-16(3)8-12-18/h4-12,14H,1,13H2,2-3H3
InChi Info:
AuxInfo=1/0/N:23,1,19,22,3,7,15,17,4,6,14,18,21,9,2,16,5,13,8,11,12,20,10/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCCCCCCCCSCNCCCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s8s11;s20;s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.6589
Area:527.716
Solvation:-1.53401
Coulombic:-17.6077
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:320.452
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.24
LogP (Chemaxon):6.8

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Descriptor Annotations

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