Chemical ID: 4820522

Cc1ccc(c(c1)C)N2C(=O)C(=Cc3cc(c(cc3OC)OC)OC)SC2=S
Chemical ID:
4820522
Name [?]:
3-(2,4-dimethylphenyl)-2-thioxo-5-[(2,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N2C(=O)C(=Cc3cc(c(cc3OC)OC)OC)SC2=S
InChi [?]:
InChI=1/C21H21NO4S2/c1-12-6-7-15(13(2)8-12)22-20(23)19(28-21(22)27)10-14-9-17(25-4)18(26-5)11-16(14)24-3/h6-11H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,21,25,23,3,4,7,15,13,18,2,6,14,5,19,16,17,12,10,27,9,11,20,24,22,28,26/rA:28nCCCCCCCCNCOCCCCCCCCOCOCOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;s16;s24;s12;s9s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO4S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.97672
Area:599.3
Solvation:-6.00578
Coulombic:-39.72
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:415.528
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.53
LogP (Chemaxon):4.66

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Descriptor Annotations

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