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Chemical ID: 7462987
Chemical ID:
7462987
Name [?]:
4-(4-methoxyphenyl)-N-(m-tolylmethyleneamino)thiazol-2-amine
SMILES [?]:
Cc1cccc(c1)C=NNc2nc(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H17N3OS/c1-13-4-3-5-14(10-13)11-19-21-18-20-17(12-23-18)15-6-8-16(22-2)9-7-15/h3-12H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,4,3,5,17,21,18,20,7,8,14,2,6,16,19,13,11,9,12,10,22,15/E:(6,7)(8,9)/rA:23nCCCCCCCCNNCNCCSCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3OS |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2795 |
Area: | 545.14 |
Solvation: | -3.34896 |
Coulombic: | -25.3898 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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