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Chemical ID: 7143295
Chemical ID:
7143295
Name [?]:
2-(4-ethylphenyl)amino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazol-4-one
SMILES [?]:
CCc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-3-12-4-7-14(8-5-12)20-19-21-18(23)17(25-19)11-13-6-9-15(22)16(10-13)24-2/h4-11,22H,3H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,2,4,8,17,5,7,18,21,15,3,16,6,19,20,14,12,10,9,11,24,13,22,25/E:(4,5)(7,8)/rA:25nCCCCCCCCNCNCOCCCCCCCCOCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.72506 |
Area: | 569.31 |
Solvation: | -4.50769 |
Coulombic: | -52.868 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.76 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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