Chemical ID: 5987955

CC(C)(C)c1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Br
Chemical ID:
5987955
Name [?]:
[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(4-tert-butylphenyl)-methanone
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Br
InChi [?]:
InChI=1/C24H26BrN3O2/c1-24(2,3)19-10-6-17(7-11-19)23(29)28-14-4-5-18(15-28)22-26-21(27-30-22)16-8-12-20(25)13-9-16/h6-13,18H,4-5,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,16,7,9,25,29,6,10,26,28,14,18,24,8,17,5,27,21,19,11,2,30,20,22,13,12,23/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCCCCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13s17;s17;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26BrN3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:14.1747
Area:659.63
Solvation:-2.31609
Coulombic:-32.5247
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:468.386
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.57
LogP (Chemaxon):6.04

Name Annotations

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Descriptor Annotations

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