Chemical ID: 7140039

Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2)C
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

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Descriptor Annotations

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