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Chemical ID: 5272452
Chemical ID:
5272452
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2)OC
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-14-7-8-15(24-2)11(9-14)10-16-17(22)20-18(25-16)19-12-3-5-13(21)6-4-12/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,17,21,18,20,4,5,8,9,7,16,19,3,6,10,11,14,15,13,22,12,2,24,23/E:(3,4)(5,6)/rA:25nCOCCCCCCCCCONCNCCCCCCOSOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;s6;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34852 |
Area: | 553.667 |
Solvation: | -5.49314 |
Coulombic: | -57.8677 |
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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