Chemical ID: 7212166

Cc1c(cn(n1)C(C)C(=O)NC2CCC(CC2)C)Br
Chemical ID:
7212166
Name [?]:
2-(4-bromo-3-methyl-pyrazol-1-yl)-N-(4-methylcyclohexyl)-propanamide
SMILES [?]:
Cc1c(cn(n1)C(C)C(=O)NC2CCC(CC2)C)Br
InChi [?]:
InChI=1/C14H22BrN3O/c1-9-4-6-12(7-5-9)16-14(19)11(3)18-8-13(15)10(2)17-18/h8-9,11-12H,4-7H2,1-3H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:18,1,8,14,16,13,17,4,15,2,7,12,3,9,19,11,6,5,10/E:(4,5)(6,7)/rA:19cCCCCNNCCCONCCCCCCCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22BrN3O
All Atoms:41
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:9.44276
Area:484.568
Solvation:-2.67144
Coulombic:-25.9093
Bond Count [?]
All:20
Single:17
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:328.248
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.49
LogP (Chemaxon):2.66

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Descriptor Annotations

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