Chemical ID: 7140849

CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)O)S2
Chemical ID:
7140849
Name [?]:
4-[[2-(4-ethoxyphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
CCOc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(=O)O)S2
InChi [?]:
InChI=1/C19H16N2O4S/c1-2-25-15-9-7-14(8-10-15)20-19-21-17(22)16(26-19)11-12-3-5-13(6-4-12)18(23)24/h3-11H,2H2,1H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,22,19,21,6,8,5,9,16,17,20,7,4,15,13,23,11,10,12,14,24,25,3,26/E:(3,4)(5,6)(7,8)(9,10)(23,24)/rA:26nCCOCCCCCCNCNCOCCCCCCCCCOOS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O4S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5634
Area:581.057
Solvation:-3.96304
Coulombic:-63.7694
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:368.407
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.05
LogP (Chemaxon):3.27

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Descriptor Annotations

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