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Chemical ID: 4858930
Chemical ID:
4858930
Name [?]:
5-[(2,3-dimethoxyphenyl)methylene]-3-(o-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N2C(=O)C(=Cc3cccc(c3OC)OC)SC2=S
InChi [?]:
InChI=1/C19H17NO3S2/c1-12-7-4-5-9-14(12)20-18(21)16(25-19(20)24)11-13-8-6-10-15(22-2)17(13)23-3/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,4,5,15,3,14,6,16,12,2,13,7,17,11,18,9,24,8,10,21,19,25,23/rA:25nCCCCCCCNCOCCCCCCCCOCOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s17;s21;s11;s8s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17NO3S2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5905 |
Area: | 549.787 |
Solvation: | -4.15417 |
Coulombic: | -34.8967 |
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: | 3.18 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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