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Chemical ID: 4087484
Chemical ID:
4087484
Name [?]:
3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccccc3OC
InChi [?]:
InChI=1/C18H15NO3S2/c1-21-13-9-7-12(8-10-13)11-16-17(20)19(18(23)24-16)14-5-3-4-6-15(14)22-2/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,20,18,21,5,7,4,8,9,6,3,17,22,10,11,14,13,12,2,23,15,16/E:(7,8)(9,10)/rA:24nCOCCCCCCCCCONCSSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO3S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12125 |
Area: | 538.71 |
Solvation: | -4.34648 |
Coulombic: | -34.1817 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.449 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.22 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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