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Chemical ID: 7141118
Chemical ID:
7141118
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-13-6-4-12(5-7-13)19-18-20-17(22)16(25-18)10-11-3-8-14(21)15(9-11)24-2/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,17,5,7,4,8,18,21,15,16,6,3,19,20,14,12,10,9,11,24,13,2,22,25/E:(4,5)(6,7)/rA:25nCOCCCCCCNCNCOCCCCCCCCOCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.91744 |
Area: | 551.972 |
Solvation: | -5.88185 |
Coulombic: | -58.329 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.397 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.52 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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