Chemical ID: 7027009

Cc1ccc(cc1)c2csc(=Nc3ccccc3)n2C(C)(C)C
Chemical ID:
7027009
Name [?]:
N-phenyl-4-(p-tolyl)-3-tert-butyl-thiazol-2-imine
SMILES [?]:
Cc1ccc(cc1)c2csc(=Nc3ccccc3)n2C(C)(C)C
InChi [?]:
InChI=1/C20H22N2S/c1-15-10-12-16(13-11-15)18-14-23-19(22(18)20(2,3)4)21-17-8-6-5-7-9-17/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,22,23,16,15,17,14,18,3,7,4,6,9,2,5,13,8,11,20,12,19,10/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:23nCCCCCCCCCSCNCCCCCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;w11;s12;s13;d14;s15;d16;d13s17;s8s11;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2S
All Atoms:45
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7906
Area:487.424
Solvation:-1.395
Coulombic:-16.435
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:322.468
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.49
LogP (Chemaxon):6.43

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Descriptor Annotations

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