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Chemical ID: 7027085
Chemical ID:
7027085
Name [?]:
4-(4-chlorophenyl)-N-[(4-tert-butylphenyl)methyleneamino]thiazol-2-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H20ClN3S/c1-20(2,3)16-8-4-14(5-9-16)12-22-24-19-23-18(13-25-19)15-6-10-17(21)11-7-15/h4-13H,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,20,24,6,10,21,23,11,17,8,19,5,22,16,14,2,25,12,15,13,18/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCCCCCCNNCNCCSCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20ClN3S |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0508 |
Area: | 611.436 |
Solvation: | -2.23509 |
Coulombic: | -19.9651 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.912 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.62 |
LogP (Chemaxon): | 7.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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