Chemical ID: 4854070

CN1C(=O)C(=Cc2ccccc2)SC1=Nc3cccc(c3)C(=O)O
Chemical ID:
4854070
Name [?]:
3-(5-benzylidene-3-methyl-4-oxo-thiazolidin-2-ylidene)aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccccc2)SC1=Nc3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C18H14N2O3S/c1-20-16(21)15(10-12-6-3-2-4-7-12)24-18(20)19-14-9-5-8-13(11-14)17(22)23/h2-11H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,18,8,12,19,17,6,21,7,20,16,5,3,22,14,15,2,4,23,24,13/E:(3,4)(6,7)(22,23)/rA:24nCNCOCCCCCCCCSCNCCCCCCCOO/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s5;s2s13;w14;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2194
Area:522.231
Solvation:-2.83636
Coulombic:-53.0204
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:338.381
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.85
LogP (Chemaxon):3.87

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