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Chemical ID: 4350501
Chemical ID:
4350501
Name [?]:
5-[(4-ethoxyphenyl)methylene]-2-(2-hydroxyphenyl)amino-thiazol-4-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3O
InChi [?]:
InChI=1/C18H16N2O3S/c1-2-23-13-9-7-12(8-10-13)11-16-17(22)20-18(24-16)19-14-5-3-4-6-15(14)21/h3-11,21H,2H2,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,22,6,8,5,9,10,7,4,18,23,11,12,15,17,14,24,13,3,16/E:(7,8)(9,10)/rA:24nCCOCCCCCCCCCONCSNCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88804 |
Area: | 545.178 |
Solvation: | -3.74142 |
Coulombic: | -53.7142 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 340.397 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.71 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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