Chemical ID: 5309909

COc1cc(cc(c1O)OC)C=NN=C2NC(=O)CS2
Chemical ID:
5309909
Name [?]:
2-[(4-hydroxy-3,5-dimethoxy-phenyl)methyleneaminoimino]thiazolidin-4-one
SMILES [?]:
COc1cc(cc(c1O)OC)C=NN=C2NC(=O)CS2
InChi [?]:
InChI=1/C12H13N3O4S/c1-18-8-3-7(4-9(19-2)11(8)17)5-13-15-12-14-10(16)6-20-12/h3-5,17H,6H2,1-2H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,4,6,12,19,5,3,7,17,8,15,13,16,14,18,9,2,10,20/E:(1,2)(3,4)(8,9)(18,19)/rA:20nCOCCCCCCOOCCNNCNCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s5;w12;s13;w14;s15;s16;d17;s17;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N3O4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.17414
Area:458.249
Solvation:-6.28208
Coulombic:-53.636
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:295.315
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.74
LogP (Chemaxon):0.38

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Descriptor Annotations

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