Chemical ID: 7140038

Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
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

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