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Chemical ID: 7142959
Chemical ID:
7142959
Name [?]:
2-(4-ethylphenyl)amino-5-[[2-(p-tolylmethoxy)phenyl]methylene]thiazol-4-one
SMILES [?]:
CCc1ccc(cc1)NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)C)S2
InChi [?]:
InChI=1/C26H24N2O2S/c1-3-19-12-14-22(15-13-19)27-26-28-25(29)24(31-26)16-21-6-4-5-7-23(21)30-17-20-10-8-18(2)9-11-20/h4-16H,3,17H2,1-2H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,30,2,18,19,17,20,26,28,25,29,4,8,5,7,15,23,27,3,24,16,6,21,14,12,10,9,11,13,22,31/E:(8,9)(10,11)(12,13)(14,15)/rA:31nCCCCCCCCNCNCOCCCCCCCCOCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;d25;s26;d27;d24s28;s27;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2O2S |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.8537 |
Area: | 689.251 |
Solvation: | -3.37755 |
Coulombic: | -39.8693 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.32 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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