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Chemical ID: 7027121
Chemical ID:
7027121
Name [?]:
N-[(4-isopropylphenyl)methyleneamino]-4-(4-methoxyphenyl)-thiazol-2-amine
SMILES [?]:
CC(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H21N3OS/c1-14(2)16-6-4-15(5-7-16)12-21-23-20-22-19(13-25-20)17-8-10-18(24-3)11-9-17/h4-14H,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,25,6,8,5,9,19,23,20,22,10,16,2,7,4,18,21,15,13,11,14,12,24,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCCCCCNNCNCCSCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3OS |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4076 |
Area: | 598.654 |
Solvation: | -3.55876 |
Coulombic: | -25.8477 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 351.466 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.5 |
LogP (Chemaxon): | 6.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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