Chemical ID: 7140063

COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
Chemical ID:
7140063
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
InChi [?]:
InChI=1/C17H14N2O4S/c1-23-12-5-3-11(4-6-12)18-17-19-16(22)15(24-17)9-10-2-7-13(20)14(21)8-10/h2-9,20-21H,1H3,(H,18,19,22)
InChi Info:
AuxInfo=1/1/N:1,17,5,7,4,8,18,21,15,16,6,3,19,20,14,12,10,9,11,23,22,13,2,24/E:(3,4)(5,6)/rA:24nCOCCCCCCNCNCOCCCCCCCCOOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O4S
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.99826
Area:534.944
Solvation:-5.37533
Coulombic:-67.073
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:342.37
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.62
LogP (Chemaxon):3.53

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