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Chemical ID: 7140038
Chemical ID:
7140038
Name [?]:
2-(3,4-dimethylphenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C18H16N2O2S/c1-11-3-6-14(9-12(11)2)19-18-20-17(22)16(23-18)10-13-4-7-15(21)8-5-13/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,3,17,21,4,18,20,6,15,2,7,16,5,19,14,12,10,9,11,22,13,23/E:(4,5)(7,8)/rA:23nCCCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2677 |
Area: | 520.702 |
Solvation: | -2.74988 |
Coulombic: | -45.3764 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 324.398 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.56 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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