Chemical ID: 7141104

COc1ccccc1N=C2NC(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2
Chemical ID:
7141104
Name [?]:
2-(2-methoxyphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccccc1N=C2NC(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2
InChi [?]:
InChI=1/C20H20N2O5S/c1-24-14-8-6-5-7-13(14)21-20-22-19(23)17(28-20)11-12-9-15(25-2)18(27-4)16(10-12)26-3/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,27,25,6,5,7,4,21,17,15,16,8,3,20,18,14,19,12,10,9,11,13,2,22,26,24,28/E:(2,3)(9,10)(15,16)(25,26)/rA:28nCOCCCCCCNCNCOCCCCCCCCOCOCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O5S
All Atoms:48
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.21234
Area:574.092
Solvation:-8.13996
Coulombic:-56.7935
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:400.449
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.35
LogP (Chemaxon):3.34

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