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Chemical ID: 4307895
Chemical ID:
4307895
Name [?]:
5-[(3,4-dimethoxyphenyl)methylene]-3-(p-tolyl)thiazolidine-2,4-dione
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(c(c3)OC)OC)SC2=O
InChi [?]:
InChI=1/C19H17NO4S/c1-12-4-7-14(8-5-12)20-18(21)17(25-19(20)22)11-13-6-9-15(23-2)16(10-13)24-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,3,7,14,4,6,15,18,12,2,13,5,16,17,11,9,24,8,10,25,21,19,23/E:(4,5)(7,8)/rA:25nCCCCCCCNCOCCCCCCCCOCOCSCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s11;s8s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88146 |
Area: | 549.044 |
Solvation: | -5.84463 |
Coulombic: | -42.1946 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.409 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.14 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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