Chemical ID: 4087484

COc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccccc3OC
Chemical ID:
4087484
Name [?]:
3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3ccccc3OC
InChi [?]:
InChI=1/C18H15NO3S2/c1-21-13-9-7-12(8-10-13)11-16-17(20)19(18(23)24-16)14-5-3-4-6-15(14)22-2/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,20,18,21,5,7,4,8,9,6,3,17,22,10,11,14,13,12,2,23,15,16/E:(7,8)(9,10)/rA:24nCOCCCCCCCCCONCSSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.12125
Area:538.71
Solvation:-4.34648
Coulombic:-34.1817
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:357.449
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):3.98

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