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Chemical ID: 7141541
Chemical ID:
7141541
Name [?]:
3-(2,5-dimethylphenyl)-5-[(2-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccccc3OC)SC2=S)C
InChi [?]:
InChI=1/C19H17NO2S2/c1-12-8-9-13(2)15(10-12)20-18(21)17(24-19(20)23)11-14-6-4-5-7-16(14)22-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,20,15,16,14,17,3,4,7,12,2,5,13,6,18,11,9,22,8,10,19,23,21/rA:24nCCCCCCCNCOCCCCCCCCOCSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s11;s8s21;d22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO2S2 |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8987 |
Area: | 546.7 |
Solvation: | -2.76882 |
Coulombic: | -27.7108 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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