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Chemical ID: 4658479
Chemical ID:
4658479
Name [?]:
5-[(4-ethoxy-3-methoxy-phenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-3-25-15-9-4-12(10-16(15)24-2)11-17-18(23)21-19(26-17)20-13-5-7-14(22)8-6-13/h4-11,22H,3H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,20,24,21,23,5,8,12,7,19,22,4,9,13,14,17,18,16,25,15,10,3,26/E:(5,6)(7,8)/rA:26nCCOCCCCCCOCCCCONCNCCCCCCOS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.30753 |
Area: | 582.8 |
Solvation: | -6.26246 |
Coulombic: | -58.001 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.423 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.67 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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