Chemical ID: 5801538

COc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(ccc3OC)OC)S2
Chemical ID:
5801538
Name [?]:
5-[(2,5-dimethoxyphenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(ccc3OC)OC)S2
InChi [?]:
InChI=1/C19H18N2O4S/c1-23-14-6-4-13(5-7-14)20-19-21-18(22)17(26-19)11-12-10-15(24-2)8-9-16(12)25-3/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,5,7,4,8,19,20,17,15,16,6,3,18,21,14,12,10,9,11,13,2,24,22,26/E:(4,5)(6,7)/rA:26nCOCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s18;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.53567
Area:576.411
Solvation:-5.87459
Coulombic:-49.114
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:370.423
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.84
LogP (Chemaxon):3.59

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Descriptor Annotations

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