Chemical ID: 7158996

CCCCCN(CCCCC)CC(C)NC(=O)C(C)n1cc(c(n1)C)Br
Chemical ID:
7158996
Name [?]:
2-(4-bromo-3-methyl-pyrazol-1-yl)-N-(2-dipentylamino-1-methyl-ethyl)-propanamide
SMILES [?]:
CCCCCN(CCCCC)CC(C)NC(=O)C(C)n1cc(c(n1)C)Br
InChi [?]:
InChI=1/C20H37BrN4O/c1-6-8-10-12-24(13-11-9-7-2)14-16(3)22-20(26)18(5)25-15-19(21)17(4)23-25/h15-16,18H,6-14H2,1-5H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,11,14,25,19,2,10,3,9,4,8,5,7,12,21,13,23,18,22,16,26,15,24,6,20,17/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:26cCCCCCNCCCCCCCCNCOCCNCCCNCBr/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s6;s12;s13;s13;s15;d16;s16;s18;s18;s20;d21;s22;s20d23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H37BrN4O
All Atoms:63
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:13.962
Area:681.359
Solvation:-3.07201
Coulombic:-31.9768
Bond Count [?]
All:26
Single:23
Double:3
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:429.438
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.31
LogP (Chemaxon):4.34

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