Chemical ID: 6000043

CCCC(=O)N(CCOC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
Chemical ID:
6000043
Name [?]:
N-[[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-(2-methoxyethyl)butanamide
SMILES [?]:
CCCC(=O)N(CCOC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C22H29BrN4O4/c1-3-6-19(28)26(13-14-30-2)15-20(29)27-12-5-4-7-18(27)22-24-21(25-31-22)16-8-10-17(23)11-9-16/h8-11,18H,3-7,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,17,16,3,18,26,30,27,29,15,7,8,11,25,28,19,4,12,22,20,31,21,23,6,14,5,13,9,24/E:(8,9)(10,11)/rA:31cCCCCONCCOCCCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6;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:C22H29BrN4O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.8572
Area:688.6
Solvation:-5.35778
Coulombic:-52.4799
Bond Count [?]
All:33
Single:26
Double:7
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:493.394
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.41
LogP (Chemaxon):2.97

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Descriptor Annotations

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