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Chemical ID: 4815419
Chemical ID:
4815419
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-3-(o-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3ccc(cc3OC)OC)SC2=S
InChi [?]:
InChI=1/C19H17NO3S2/c1-12-6-4-5-7-15(12)20-18(21)17(25-19(20)24)10-13-8-9-14(22-2)11-16(13)23-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,4,5,3,6,14,15,12,17,2,13,16,7,18,11,9,24,8,10,21,19,25,23/rA:25nCCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s11;s8s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO3S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1647 |
Area: | 555.558 |
Solvation: | -3.72422 |
Coulombic: | -34.2972 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 371.475 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.45 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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