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Chemical ID: 5269045
Chemical ID:
5269045
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(p-tolylamino)thiazol-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)C
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-25-16-10-7-14(11-17(16)24-3)12-18-19(23)22-20(26-18)21-15-8-5-13(2)6-9-15/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,11,2,22,24,6,21,25,5,8,12,23,7,20,4,9,13,14,17,19,16,15,10,3,18/E:(5,6)(8,9)/rA:26nCCOCCCCCCOCCCCONCSNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;d16;s13s17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46269 |
Area: | 590.147 |
Solvation: | -5.291 |
Coulombic: | -43.5526 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.78 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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