Chemical ID: 6000034

CC(C)CC(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
Chemical ID:
6000034
Name [?]:
N-allyl-N-[[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C23H29BrN4O3/c1-4-12-27(20(29)14-16(2)3)15-21(30)28-13-6-5-7-19(28)23-25-22(26-31-23)17-8-10-18(24)11-9-17/h4,8-11,16,19H,1,5-7,12-15H2,2-3H3
InChi Info:
AuxInfo=1/0/N:10,1,3,9,17,16,18,26,30,27,29,8,15,4,11,2,25,28,19,5,12,22,20,31,21,23,7,14,6,13,24/E:(2,3)(8,9)(10,11)/rA:31cCCCCCONCCCCCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s7;s11;d12;s12;s14;s15;s16;s17;s14s18;s19;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29BrN4O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.0764
Area:687.295
Solvation:-4.10596
Coulombic:-46.8467
Bond Count [?]
All:33
Single:25
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:489.406
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.73
LogP (Chemaxon):4.21

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Descriptor Annotations

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