Chemical ID: 7159824

Cc1c(cn(n1)CCC(=O)N(C2CCCCC2)C3CCCCC3)Br
Chemical ID:
7159824
Name [?]:
3-(4-bromo-3-methyl-pyrazol-1-yl)-N,N-dicyclohexyl-propanamide
SMILES [?]:
Cc1c(cn(n1)CCC(=O)N(C2CCCCC2)C3CCCCC3)Br
InChi [?]:
InChI=1/C19H30BrN3O/c1-15-18(20)14-22(21-15)13-12-19(24)23(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h14,16-17H,2-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,21,14,16,20,22,13,17,19,23,8,7,4,2,12,18,3,9,24,6,5,11,10/E:(2,3)(4,5,6,7)(8,9,10,11)(16,17)/rA:24nCCCCNNCCCONCCCCCCCCCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s11;s18;s19;s20;s21;s18s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30BrN3O
All Atoms:54
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8822
Area:554.61
Solvation:-1.98303
Coulombic:-21.1909
Bond Count [?]
All:26
Single:23
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:396.365
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.59
LogP (Chemaxon):3.8

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