Chemical ID: 7220897

Cc1c(cn(n1)CCCNC(=O)CCn2cc(c(n2)C)Br)Cl
Chemical ID:
7220897
Name [?]:
3-(4-bromo-3-methyl-pyrazol-1-yl)-N-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]propanamide
SMILES [?]:
Cc1c(cn(n1)CCCNC(=O)CCn2cc(c(n2)C)Br)Cl
InChi [?]:
InChI=1/C14H19BrClN5O/c1-10-12(15)8-21(18-10)7-4-14(22)17-5-3-6-20-9-13(16)11(2)19-20/h8-9H,3-7H2,1-2H3,(H,17,22)
InChi Info:
AuxInfo=1/1/N:20,1,8,13,9,7,14,16,4,18,2,17,3,11,21,22,10,19,6,5,15,12/rA:22nCCCCNNCCCNCOCCNCCCNCBrCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;s15d18;s18;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19BrClN5O
All Atoms:41
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.3069
Area:586.561
Solvation:-3.35714
Coulombic:-27.8505
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:388.69
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.22
LogP (Chemaxon):1.27

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