Chemical ID: 5125236

COc1ccccc1N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
Chemical ID:
5125236
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccccc1N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-14-6-4-3-5-12(14)19-18-20-17(22)16(25-18)10-11-7-8-13(21)15(9-11)24-2/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,6,5,7,4,17,18,21,15,16,8,19,3,20,14,12,10,9,11,24,13,2,22,25/rA:25nCOCCCCCCNCNCOCCCCCCCCOCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.68843
Area:554.51
Solvation:-6.17432
Coulombic:-58.8134
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:356.397
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.52
LogP (Chemaxon):3.56

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