Chemical ID: 5999991

CC(C)C(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
Chemical ID:
5999991
Name [?]:
N-allyl-N-[[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C22H27BrN4O3/c1-4-12-26(22(29)15(2)3)14-19(28)27-13-6-5-7-18(27)21-24-20(25-30-21)16-8-10-17(23)11-9-16/h4,8-11,15,18H,1,5-7,12-14H2,2-3H3
InChi Info:
AuxInfo=1/0/N:9,1,3,8,16,15,17,25,29,26,28,7,14,10,2,24,27,18,11,21,19,4,30,20,22,6,13,12,5,23/E:(2,3)(8,9)(10,11)/rA:30cCCCCONCCCCCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;s2;d4;s4;s6;s7;d8;s6;s10;d11;s11;s13;s14;s15;s16;s13s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27BrN4O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.2281
Area:651.404
Solvation:-4.05701
Coulombic:-46.6942
Bond Count [?]
All:32
Single:24
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:475.379
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.94
LogP (Chemaxon):4.05

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Descriptor Annotations

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