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Chemical ID: 7207080
Chemical ID:
7207080
Name [?]:
5-bromo-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILES [?]:
Cc1c(c(n(n1)C)C)CN(C)C(=O)c2ccc(o2)Br
InChi [?]:
InChI=1/C13H16BrN3O2/c1-8-10(9(2)17(4)15-8)7-16(3)13(18)11-5-6-12(14)19-11/h5-6H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,11,7,15,16,9,2,4,3,14,17,12,19,6,10,5,13,18/rA:19nCCCCNNCCCNCCOCCCCOBr/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;s9;s10;s10;d12;s12;d14;s15;d16;s14s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16BrN3O2 |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50436 |
Area: | 453.052 |
Solvation: | -2.82195 |
Coulombic: | -29.4575 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.189 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.66 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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