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Chemical ID: 4850340
Chemical ID:
4850340
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-2-(4-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1cccc(c1OC)C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-14-5-3-4-11(16(14)24-2)10-15-17(22)20-18(25-15)19-12-6-8-13(21)9-7-12/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,10,5,6,4,19,23,20,22,11,7,18,21,3,12,8,13,16,17,15,24,14,2,9,25/E:(6,7)(8,9)/rA:25nCOCCCCCCOCCCCONCNCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37262 |
Area: | 551.977 |
Solvation: | -5.42681 |
Coulombic: | -59.0758 |
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: | 2.25 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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