Chemical ID: 7207080

Cc1c(c(n(n1)C)C)CN(C)C(=O)c2ccc(o2)Br
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

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