Chemical ID: 7140138

COc1ccc(c(c1)OC)C=C2C(=O)NC(=Nc3ccc(cc3OC)OC)S2
Chemical ID:
7140138
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-[(2,4-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)C=C2C(=O)NC(=Nc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C20H20N2O5S/c1-24-13-6-5-12(16(10-13)26-3)9-18-19(23)22-20(28-18)21-15-8-7-14(25-2)11-17(15)27-4/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,10,25,5,4,20,19,11,8,22,6,3,21,18,7,23,12,13,16,17,15,14,2,26,9,24,28/rA:28nCOCCCCCCOCCCCONCNCCCCCCOCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O5S
All Atoms:48
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.32325
Area:613.027
Solvation:-7.00242
Coulombic:-56.2813
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:2.75
LogP (Chemaxon):3.34

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