Chemical ID: 4452126

Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccc(c(c3)O)OC)SC2=S
Chemical ID:
4452126
Name [?]:
3-(2,4-dimethylphenyl)-5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccc(c(c3)O)OC)SC2=S
InChi [?]:
InChI=1/C19H17NO3S2/c1-11-4-6-14(12(2)8-11)20-18(22)17(25-19(20)24)10-13-5-7-16(23-3)15(21)9-13/h4-10,21H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,22,3,15,4,16,7,19,13,2,6,14,5,18,17,12,10,24,9,20,11,21,25,23/rA:25nCCCCCCCCNCOCCCCCCCCOOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;s12;s9s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17NO3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.8337
Area:559.084
Solvation:-4.1434
Coulombic:-42.5837
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:371.475
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.56
LogP (Chemaxon):4.89

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