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Chemical ID: 7143354
Chemical ID:
7143354
Name [?]:
2-[5-(1-naphthylmethylene)-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc2c(c1)cccc2C=C3C(=O)N=C(S3)Nc4ccccc4C(=O)O
InChi [?]:
InChI=1/C21H14N2O3S/c24-19-18(12-14-8-5-7-13-6-1-2-9-15(13)14)27-21(23-19)22-17-11-4-3-10-16(17)20(25)26/h1-12H,(H,25,26)(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,8,6,7,9,3,23,20,11,5,10,4,24,19,12,13,25,16,18,15,14,26,27,17/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;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H14N2O3S |
All Atoms: | 41 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.7429 |
Area: | 571.757 |
Solvation: | -2.55106 |
Coulombic: | -59.4279 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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