Chemical ID: 7158649

Cc1c(c(nn1CC(=O)NCCn2cc(cn2)Br)C(F)F)Br
Chemical ID:
7158649
Name [?]:
2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-[2-(4-bromopyrazol-1-yl)ethyl]acetamide
SMILES [?]:
Cc1c(c(nn1CC(=O)NCCn2cc(cn2)Br)C(F)F)Br
InChi [?]:
InChI=1/C12H13Br2F2N5O/c1-7-10(14)11(12(15)16)19-21(7)6-9(22)17-2-3-20-5-8(13)4-18-20/h4-5,12H,2-3,6H2,1H3,(H,17,22)
InChi Info:
AuxInfo=1/1/N:1,11,12,16,14,7,2,15,8,3,4,19,18,22,20,21,10,17,5,13,6,9/E:(15,16)/rA:22nCCCCNNCCONCCNCCCNBrCFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;s13d16;s15;s4;s19;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13Br2F2N5O
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.5908
Area:535.121
Solvation:-5.78722
Coulombic:-37.1424
Bond Count [?]
All:23
Single:18
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:441.07
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.35
LogP (Chemaxon):1.44

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