Chemical ID: 7141270

COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
Chemical ID:
7141270
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-(1-naphthylmethylene)thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C22H18N2O3S/c1-26-16-10-11-18(19(13-16)27-2)23-22-24-21(25)20(28-22)12-15-8-5-7-14-6-3-4-9-17(14)15/h3-13H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,10,26,25,20,27,21,19,24,4,5,17,8,22,18,3,23,6,7,16,14,12,11,13,15,2,9,28/rA:28nCOCCCCCCOCNCNCOCCCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O3S
All Atoms:46
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.79204
Area:592.402
Solvation:-5.01801
Coulombic:-43.9251
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:390.456
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.19
LogP (Chemaxon):4.85

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