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Chemical ID: 7027084
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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