Chemical ID: 5818068

CN1C(=O)C(=Cc2ccc(cc2)C(=O)OC)SC1=Nc3ccc(cc3)C(=O)O
Chemical ID:
5818068
Name [?]:
4-[5-[(4-methoxycarbonylphenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccc(cc2)C(=O)OC)SC1=Nc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C20H16N2O5S/c1-22-17(23)16(11-12-3-5-14(6-4-12)19(26)27-2)28-20(22)21-15-9-7-13(8-10-15)18(24)25/h3-11H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,16,8,12,9,11,22,24,21,25,6,7,23,10,20,5,3,26,13,18,19,2,4,27,28,14,15,17/E:(3,4)(5,6)(7,8)(9,10)(24,25)/rA:28nCNCOCCCCCCCCCOOCSCNCCCCCCCOO/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s5;s2s17;w18;s19;s20;d21;s22;d23;d20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.2222
Area:599.769
Solvation:-3.77204
Coulombic:-72.0492
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:396.418
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.79
LogP (Chemaxon):3.52

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Descriptor Annotations

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