Chemical ID: 7158736

Cc1c(cn(n1)CC(=O)NC(Cn2cccn2)C(C)(C)C)Br
Chemical ID:
7158736
Name [?]:
2-(4-bromo-3-methyl-pyrazol-1-yl)-N-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]-acetamide
SMILES [?]:
Cc1c(cn(n1)CC(=O)NC(Cn2cccn2)C(C)(C)C)Br
InChi [?]:
InChI=1/C15H22BrN5O/c1-11-12(16)8-21(19-11)10-14(22)18-13(15(2,3)4)9-20-7-5-6-17-20/h5-8,13H,9-10H2,1-4H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,15,16,14,4,12,7,2,3,11,8,18,22,17,10,6,13,5,9/E:(2,3,4)/rA:22cCCCCNNCCONCCNCCCNCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s8;s10;s11;s12;s13;d14;s15;s13d16;s11;s18;s18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22BrN5O
All Atoms:44
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.67718
Area:523.618
Solvation:-4.41326
Coulombic:-27.3042
Bond Count [?]
All:23
Single:18
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.272
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.53
LogP (Chemaxon):2.14

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