Chemical ID: 4856375

Cc1cccc(c1C)N=C2NC(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2
Chemical ID:
4856375
Name [?]:
2-(2,3-dimethylphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N=C2NC(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2
InChi [?]:
InChI=1/C21H22N2O4S/c1-12-7-6-8-15(13(12)2)22-21-23-20(24)18(28-21)11-14-9-16(25-3)19(27-5)17(10-14)26-4/h6-11H,1-5H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,23,27,25,4,3,5,21,17,15,2,7,16,6,20,18,14,19,12,10,9,11,13,22,26,24,28/E:(3,4)(9,10)(16,17)(25,26)/rA:28nCCCCCCCCNCNCOCCCCCCCCOCOCOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;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:C21H22N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.86676
Area:608.45
Solvation:-6.3445
Coulombic:-50.1719
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:398.476
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.1
LogP (Chemaxon):4.53

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