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Chemical ID: 7345768
Chemical ID:
7345768
Name [?]:
2-[4-(5-bromo-2-thienyl)thiazol-2-yl]pyridine
SMILES [?]:
c1ccnc(c1)c2nc(cs2)c3ccc(s3)Br
InChi [?]:
InChI=1/C12H7BrN2S2/c13-11-5-4-10(17-11)9-7-16-12(15-9)8-3-1-2-6-14-8/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,10,5,9,12,15,7,17,4,8,11,16/rA:17nCCCNCCCNCCSCCCCSBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s9;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H7BrN2S2 |
All Atoms: | 24 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70513 |
Area: | 453.882 |
Solvation: | -1.6419 |
Coulombic: | -13.0746 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 323.233 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.68 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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