Chemical ID: 7027084

CC(C)(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)OC
Chemical ID:
7027084
Name [?]:
4-(4-methoxyphenyl)-N-[(4-tert-butylphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H23N3OS/c1-21(2,3)17-9-5-15(6-10-17)13-22-24-20-23-19(14-26-20)16-7-11-18(25-4)12-8-16/h5-14H,1-4H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,26,7,9,20,24,6,10,21,23,11,17,8,19,5,22,16,14,2,12,15,13,25,18/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCCCCCNNCNCCSCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3OS
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7891
Area:613.767
Solvation:-3.55503
Coulombic:-26.0786
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:365.493
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.91
LogP (Chemaxon):6.52

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