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Chemical ID: 7143214
Chemical ID:
7143214
Name [?]:
2-[5-[(4-carboxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(cc3)C(=O)O)S2
InChi [?]:
InChI=1/C18H12N2O5S/c21-15-14(9-10-5-7-11(8-6-10)16(22)23)26-18(20-15)19-13-4-2-1-3-12(13)17(24)25/h1-9H,(H,22,23)(H,24,25)(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,16,17,20,5,4,15,13,23,7,11,10,12,14,24,25,8,9,26/E:(5,6)(7,8)(22,23)(24,25)/rA:26nCCCCCCCOONCNCOCCCCCCCCCOOS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12N2O5S |
All Atoms: | 38 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8416 |
Area: | 562.812 |
Solvation: | -3.22871 |
Coulombic: | -85.3141 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.23 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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