Chemical ID: 7140873

COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
Chemical ID:
7140873
Name [?]:
methyl 4-[[2-(4-methoxyphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoate
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
InChi [?]:
InChI=1/C19H16N2O4S/c1-24-15-9-7-14(8-10-15)20-19-21-17(22)16(26-19)11-12-3-5-13(6-4-12)18(23)25-2/h3-11H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,17,21,18,20,5,7,4,8,15,16,19,6,3,14,12,22,10,9,11,13,23,2,24,26/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCOCCCCCCNCNCOCCCCCCCCCOOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O4S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.329
Area:578.695
Solvation:-4.13834
Coulombic:-55.7896
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:368.407
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.94
LogP (Chemaxon):3.65

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Descriptor Annotations

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