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Chemical ID: 7142251
Chemical ID:
7142251
Name [?]:
3-(2,5-dimethylphenyl)-2-thioxo-5-[(2,3,4-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(c(c3OC)OC)OC)SC2=S)C
InChi [?]:
InChI=1/C21H21NO4S2/c1-12-6-7-13(2)15(10-12)22-20(23)17(28-21(22)27)11-14-8-9-16(24-3)19(26-5)18(14)25-4/h6-11H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,28,24,20,22,3,4,14,15,7,12,2,5,13,6,16,11,18,17,9,26,8,10,23,19,21,27,25/rA:28nCCCCCCCNCOCCCCCCCCOCOCOCSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s17;s21;s16;s23;s11;s8s25;d26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO4S2 |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1242 |
Area: | 615.711 |
Solvation: | -5.26862 |
Coulombic: | -41.9634 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.4 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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