Chemical ID: 6430360

COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)OC)S2
Chemical ID:
6430360
Name [?]:
5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)OC)S2
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-13-6-4-12(5-7-13)19-18-20-17(22)16(25-18)10-11-3-8-15(24-2)14(21)9-11/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,17,5,7,4,8,18,21,15,16,6,3,20,19,14,12,10,9,11,22,13,2,23,25/E:(4,5)(6,7)/rA:25nCOCCCCCCNCNCOCCCCCCCCOOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s23;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.21206
Area:557.768
Solvation:-5.73214
Coulombic:-58.3059
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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