Chemical ID: 4851692

CCN1C(=O)C(=Cc2ccccc2)SC1=Nc3ccc(cc3)C(=O)O
Chemical ID:
4851692
Name [?]:
4-(5-benzylidene-3-ethyl-4-oxo-thiazolidin-2-ylidene)aminobenzoic acid
SMILES [?]:
CCN1C(=O)C(=Cc2ccccc2)SC1=Nc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C19H16N2O3S/c1-2-21-17(22)16(12-13-6-4-3-5-7-13)25-19(21)20-15-10-8-14(9-11-15)18(23)24/h3-12H,2H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,19,21,18,22,7,8,20,17,6,4,23,15,16,3,5,24,25,14/E:(4,5)(6,7)(8,9)(10,11)(23,24)/rA:25nCCNCOCCCCCCCCSCNCCCCCCCOO/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s6;s3s14;w15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6032
Area:535.388
Solvation:-2.78151
Coulombic:-53.3288
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:352.408
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.27
LogP (Chemaxon):4.32

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