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Chemical ID: 6565789
Chemical ID:
6565789
Name [?]:
N-(2-chlorophenyl)-4-(4-tert-butylphenyl)-3H-thiazol-2-imine
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2csc(=Nc3ccccc3Cl)[nH]2
InChi [?]:
InChI=1/C19H19ClN2S/c1-19(2,3)14-10-8-13(9-11-14)17-12-23-18(22-17)21-16-7-5-4-6-15(16)20/h4-12H,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,18,20,17,7,9,6,10,12,8,5,21,16,11,14,2,22,15,23,13/E:(1,2,3)(8,9)(10,11)/rA:23nCCCCCCCCCCCCSCNCCCCCCClN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s11s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19ClN2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1101 |
Area: | 546.883 |
Solvation: | -1.56196 |
Coulombic: | -21.6913 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.886 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 6.89 |
LogP (Chemaxon): | 7.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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