Chemical ID: 7159916

Cc1c(cnn1CC(=O)NCCn2cc(cn2)Br)Br
Chemical ID:
7159916
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-N-[2-(4-bromopyrazol-1-yl)ethyl]acetamide
SMILES [?]:
Cc1c(cnn1CC(=O)NCCn2cc(cn2)Br)Br
InChi [?]:
InChI=1/C11H13Br2N5O/c1-8-10(13)5-16-18(8)7-11(19)14-2-3-17-6-9(12)4-15-17/h4-6H,2-3,7H2,1H3,(H,14,19)
InChi Info:
AuxInfo=1/1/N:1,11,12,16,4,14,7,2,15,3,8,18,19,10,17,5,13,6,9/rA:19nCCCCNNCCONCCNCCCNBrBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;s13d16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13Br2N5O
All Atoms:32
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.22919
Area:500.959
Solvation:-4.29478
Coulombic:-27.083
Bond Count [?]
All:20
Single:15
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:391.062
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):0.98

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