Chemical ID: 7153177

Cc1c(c(nn1C(C)C(=O)N(CC(C)C)CC(C)C)C(F)F)Br
Chemical ID:
7153177
Name [?]:
2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N,N-diisobutyl-propanamide
SMILES [?]:
Cc1c(c(nn1C(C)C(=O)N(CC(C)C)CC(C)C)C(F)F)Br
InChi [?]:
InChI=1/C16H26BrF2N3O/c1-9(2)7-21(8-10(3)4)16(23)12(6)22-11(5)13(17)14(20-22)15(18)19/h9-10,12,15H,7-8H2,1-6H3
InChi Info:
AuxInfo=1/0/N:14,15,18,19,1,8,12,16,13,17,2,7,3,4,20,9,23,21,22,5,11,6,10/E:(1,2,3,4)(7,8)(9,10)(18,19)/rA:23cCCCCNNCCCONCCCCCCCCCFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s13;s11;s16;s17;s17;s4;s20;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26BrF2N3O
All Atoms:49
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.51927
Area:532.748
Solvation:-4.79944
Coulombic:-30.9151
Bond Count [?]
All:23
Single:20
Double:3
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.298
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.07
LogP (Chemaxon):3.72

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