Chemical ID: 5402248

Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(c(c3)O)OC)SC2=S
Chemical ID:
5402248
Name [?]:
5-[(3-hydroxy-4-methoxy-phenyl)methylene]-3-(p-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(c(c3)O)OC)SC2=S
InChi [?]:
InChI=1/C18H15NO3S2/c1-11-3-6-13(7-4-11)19-17(21)16(24-18(19)23)10-12-5-8-15(22-2)14(20)9-12/h3-10,20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,3,7,14,4,6,15,18,12,2,13,5,17,16,11,9,23,8,19,10,20,24,22/E:(3,4)(6,7)/rA:24nCCCCCCCNCOCCCCCCCCOOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;s11;s8s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.48263
Area:545.298
Solvation:-4.14983
Coulombic:-42.712
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:357.449
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.34
LogP (Chemaxon):4.42

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