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Chemical ID: 6643212
Chemical ID:
6643212
Name [?]:
N-benzyl-3-phenyl-4-(p-tolyl)thiazol-2-imine
SMILES [?]:
Cc1ccc(cc1)c2csc(=NCc3ccccc3)n2c4ccccc4
InChi [?]:
InChI=1/C23H20N2S/c1-18-12-14-20(15-13-18)22-17-26-23(24-16-19-8-4-2-5-9-19)25(22)21-10-6-3-7-11-21/h2-15,17H,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,24,16,18,23,25,15,19,22,26,3,7,4,6,13,9,2,14,5,21,8,11,12,20,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCCSCNCCCCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;w11;s12;s13;s14;d15;s16;d17;d14s18;s8s11;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9918 |
Area: | 564.205 |
Solvation: | -2.11328 |
Coulombic: | -17.5463 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 356.484 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.67 |
LogP (Chemaxon): | 6.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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