Chemical ID: 5547550

CN1C(=O)C(=Cc2cccc(c2)O)SC1=Nc3ccc(cc3)C(=O)OC
Chemical ID:
5547550
Name [?]:
methyl 4-[5-[(3-hydroxyphenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
CN1C(=O)C(=Cc2cccc(c2)O)SC1=Nc3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C19H16N2O4S/c1-21-17(23)16(11-12-4-3-5-15(22)10-12)26-19(21)20-14-8-6-13(7-9-14)18(24)25-2/h3-11,22H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,9,8,10,19,21,18,22,12,6,7,20,17,11,5,3,23,15,16,2,13,4,24,25,14/E:(6,7)(8,9)/rA:26nCNCOCCCCCCCCOSCNCCCCCCCOOC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s11;s5;s2s14;w15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3299
Area:564.178
Solvation:-3.77453
Coulombic:-60.4221
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.407
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.76
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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