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Chemical ID: 5999976
Chemical ID:
5999976
Name [?]:
N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-2-ethyl-N-propyl-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)N(CCC)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H37ClN4O3/c1-4-7-10-19(6-3)26(33)30(16-5-2)18-23(32)31-17-9-8-11-22(31)25-28-24(29-34-25)20-12-14-21(27)15-13-20/h12-15,19,22H,4-11,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,7,2,12,6,3,20,19,4,21,29,33,30,32,11,18,14,5,28,31,22,15,25,23,8,34,24,26,10,17,16,9,27/E:(12,13)(14,15)/rA:34cCCCCCCCCONCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s10;s14;d15;s15;s17;s18;s19;s20;s17s21;s22;d23;s24;d25;s23s26;s25;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H37ClN4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 14.5191 |
Area: | 759.174 |
Solvation: | -4.46028 |
Coulombic: | -46.5281 |
Bond Count [?]
All: | 36 |
Single: | 29 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 489.05 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.21 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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