Chemical ID: 7143276

c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(cc3)Br)S2
Chemical ID:
7143276
Name [?]:
2-[5-[(4-bromophenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)NC2=NC(=O)C(=Cc3ccc(cc3)Br)S2
InChi [?]:
InChI=1/C17H11BrN2O3S/c18-11-7-5-10(6-8-11)9-14-15(21)20-17(24-14)19-13-4-2-1-3-12(13)16(22)23/h1-9H,(H,22,23)(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,16,17,20,5,4,15,13,7,11,23,10,12,14,8,9,24/E:(5,6)(7,8)(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;s20;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11BrN2O3S
All Atoms:35
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:11.2455
Area:540.434
Solvation:-2.26537
Coulombic:-58.471
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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