Chemical ID: 4849253

Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
Chemical ID:
4849253
Name [?]:
2-(2,4-dimethylphenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-11-4-6-14(12(2)8-11)20-19-21-18(23)17(25-19)10-13-5-7-15(22)16(9-13)24-3/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,23,3,17,4,18,7,21,15,2,6,16,5,19,20,14,12,10,9,11,24,13,22,25/rA:25nCCCCCCCCNCNCOCCCCCCCCOCOS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.5394
Area:560.194
Solvation:-4.46546
Coulombic:-51.997
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.26
LogP (Chemaxon):4.75

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Descriptor Annotations

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