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Chemical ID: 7143268
Chemical ID:
7143268
Name [?]:
2-[5-[(3-bromophenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3cccc(c3)Br)S2
InChi [?]:
InChI=1/C17H11BrN2O3S/c18-11-5-3-4-10(8-11)9-14-15(21)20-17(24-14)19-13-7-2-1-6-12(13)16(22)23/h1-9H,(H,22,23)(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,6,3,22,16,17,21,5,4,15,13,7,11,23,10,12,14,8,9,24/E:(22,23)/rA:24nCCCCCCCOONCNCOCCCCCCCCBrS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11BrN2O3S |
All Atoms: | 35 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1532 |
Area: | 537.596 |
Solvation: | -2.28671 |
Coulombic: | -58.4537 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.41 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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