Chemical ID: 7141120

Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2)C
Chemical ID:
7141120
Name [?]:
2-(2,5-dimethylphenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2)C
InChi [?]:
InChI=1/C19H18N2O3S/c1-11-4-5-12(2)14(8-11)20-19-21-18(23)17(25-19)10-13-6-7-15(22)16(9-13)24-3/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,22,3,4,16,17,7,20,14,2,5,15,6,18,19,13,11,9,8,10,23,12,21,24/rA:25nCCCCCCCNCNCOCCCCCCCCOCOSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.34011
Area:552.368
Solvation:-4.4691
Coulombic:-52.1094
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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