Chemical ID: 5290486

COc1ccccc1C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
Chemical ID:
5290486
Name [?]:
2-(4-hydroxyphenyl)imino-5-[(2-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)NC(=Nc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C17H14N2O3S/c1-22-14-5-3-2-4-11(14)10-15-16(21)19-17(23-15)18-12-6-8-13(20)9-7-12/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,17,21,18,20,9,8,16,19,3,10,11,14,15,13,22,12,2,23/E:(6,7)(8,9)/rA:23nCOCCCCCCCCCONCNCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.02244
Area:517.072
Solvation:-3.90437
Coulombic:-52.1102
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:326.371
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.6
LogP (Chemaxon):3.81

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