Chemical ID: 7149215

CN1C(=O)C(=Cc2ccccc2O)SC1=Nc3ccc(cc3)C(=O)O
Chemical ID:
7149215
Name [?]:
4-[5-[(2-hydroxyphenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CN1C(=O)C(=Cc2ccccc2O)SC1=Nc3ccc(cc3)C(=O)O
InChi [?]:
InChI=1/C18H14N2O4S/c1-20-16(22)15(10-12-4-2-3-5-14(12)21)25-18(20)19-13-8-6-11(7-9-13)17(23)24/h2-10,21H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,11,19,21,18,22,6,20,7,17,12,5,3,23,15,16,2,13,4,24,25,14/E:(6,7)(8,9)(23,24)/rA:25nCNCOCCCCCCCCOSCNCCCCCCCOO/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s12;s5;s2s14;w15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O4S
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0115
Area:541.649
Solvation:-3.52969
Coulombic:-68.6034
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:354.381
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.44
LogP (Chemaxon):3.68

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