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Chemical ID: 7141583
Chemical ID:
7141583
Name [?]:
3-(3-acetylphenyl)-5-[(2,4-dimethoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccc(cc3OC)OC)SC2=S
InChi [?]:
InChI=1/C20H17NO4S2/c1-12(22)13-5-4-6-15(9-13)21-19(23)18(27-20(21)26)10-14-7-8-16(24-2)11-17(14)25-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,22,6,5,7,16,17,9,14,19,2,4,15,8,18,20,13,11,26,10,3,12,23,21,27,25/rA:27nCCOCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s18;s23;s13;s10s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO4S2 |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0702 |
Area: | 603.042 |
Solvation: | -5.00583 |
Coulombic: | -40.6253 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.06 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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