Chemical ID: 6473535

c1ccc2c(c1)cccc2C=C3C(=O)N=C(S3)Nc4cccc(c4)C(=O)O
Chemical ID:
6473535
Name [?]:
3-[5-(1-naphthylmethylene)-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc2c(c1)cccc2C=C3C(=O)N=C(S3)Nc4cccc(c4)C(=O)O
InChi [?]:
InChI=1/C21H14N2O3S/c24-19-18(12-14-7-3-6-13-5-1-2-10-17(13)14)27-21(23-19)22-16-9-4-8-15(11-16)20(25)26/h1-12H,(H,25,26)(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,21,6,7,9,22,20,3,24,11,5,10,23,19,4,12,13,25,16,18,15,14,26,27,17/E:(25,26)/rA:27nCCCCCCCCCCCCCONCSNCCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s23;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3805
Area:574.529
Solvation:-2.98272
Coulombic:-58.3869
Bond Count [?]
All:30
Single:18
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:374.414
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.23
LogP (Chemaxon):4.72

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