Chemical ID: 7220884

Cc1c(cn(n1)CCC(=O)NCCCn2c(c(c(n2)C)Br)C)Br
Chemical ID:
7220884
Name [?]:
N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-bromo-3-methyl-pyrazol-1-yl)-propanamide
SMILES [?]:
Cc1c(cn(n1)CCC(=O)NCCCn2c(c(c(n2)C)Br)C)Br
InChi [?]:
InChI=1/C15H21Br2N5O/c1-10-13(16)9-21(19-10)8-5-14(23)18-6-4-7-22-12(3)15(17)11(2)20-22/h9H,4-8H2,1-3H3,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,20,22,13,8,12,14,7,4,2,18,16,3,9,17,23,21,11,6,19,5,15,10/rA:23nCCCCNNCCCONCCCNCCCNCBrCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;s15d18;s18;s17;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21Br2N5O
All Atoms:44
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.6539
Area:600.425
Solvation:-3.35676
Coulombic:-27.2759
Bond Count [?]
All:24
Single:19
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:447.168
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.63
LogP (Chemaxon):1.56

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