Chemical ID: 5988943

CC(C)(C)NC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
Chemical ID:
5988943
Name [?]:
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-piperidine-1-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H23BrN4O2/c1-18(2,3)21-17(24)23-11-5-4-6-14(23)16-20-15(22-25-16)12-7-9-13(19)10-8-12/h7-10,14H,4-6,11H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,10,12,20,24,21,23,9,19,22,13,16,14,6,2,25,15,5,17,8,7,18/E:(1,2,3)(7,8)(9,10)/rA:25cCCCCNCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23BrN4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.3605
Area:553.772
Solvation:-2.48384
Coulombic:-43.6305
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.305
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):3.75

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