Chemical ID: 7148904

CN1C(=O)C(=CC=Cc2ccccc2)SC1=Nc3ccc(cc3)C(=O)O
Chemical ID:
7148904
Name [?]:
4-(5-cinnamylidene-3-methyl-4-oxo-thiazolidin-2-ylidene)aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=CC=Cc2ccccc2)SC1=Nc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C20H16N2O3S/c1-22-18(23)17(9-5-8-14-6-3-2-4-7-14)26-20(22)21-16-12-10-15(11-13-16)19(24)25/h2-13H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,12,11,13,7,10,14,8,6,20,22,19,23,9,21,18,5,3,24,16,17,2,4,25,26,15/E:(3,4)(6,7)(10,11)(12,13)(24,25)/rA:26nCNCOCCCCCCCCCCSCNCCCCCCCOO/rB:s1;s2;d3;s3;w5;s6;w7;s8;s9;d10;s11;d12;d9s13;s5;s2s15;w16;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O3S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6795
Area:584.57
Solvation:-2.93473
Coulombic:-54.2126
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:3
Rigid Segments:5
Chemical Properties
Molecular Weight:364.419
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.33
LogP (Chemaxon):4.49

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Descriptor Annotations

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