Chemical ID: 6565789

CC(C)(C)c1ccc(cc1)c2csc(=Nc3ccccc3Cl)[nH]2
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

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