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Chemical ID: 7140039
Chemical ID:
7140039
Name [?]:
2-(2,5-dimethylphenyl)imino-5-[(4-hydroxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2)C
InChi [?]:
InChI=1/C18H16N2O2S/c1-11-3-4-12(2)15(9-11)19-18-20-17(22)16(23-18)10-13-5-7-14(21)8-6-13/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,3,4,16,20,17,19,7,14,2,5,15,18,6,13,11,9,8,10,21,12,22/E:(5,6)(7,8)/rA:23nCCCCCCCNCNCOCCCCCCCCOSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1501 |
Area: | 516.067 |
Solvation: | -2.75154 |
Coulombic: | -45.5551 |
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: | 3.35 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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