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Chemical ID: 4085903
Chemical ID:
4085903
Name [?]:
N-(2-bromo-4-methyl-phenyl)thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2cccs2
InChi [?]:
InChI=1/C12H10BrNOS/c1-8-4-5-10(9(13)7-8)14-12(15)11-3-2-6-16-11/h2-7H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,13,3,4,15,7,2,6,5,12,10,8,9,11,16/rA:16nCCCCCCCBrNCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10BrNOS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21371 |
Area: | 420.128 |
Solvation: | -1.28949 |
Coulombic: | -23.8707 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.25 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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