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Chemical ID: 6000079
Chemical ID:
6000079
Name [?]:
N-allyl-N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]hexanamide
SMILES [?]:
CCCCCC(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C24H31ClN4O3/c1-3-5-6-13-21(30)28(14-4-2)17-22(31)29-15-8-7-12-20(29)24-26-23(27-32-24)18-10-9-11-19(25)16-18/h4,9-11,16,20H,2-3,5-8,12-15,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,2,10,3,4,18,17,28,27,29,19,5,9,16,31,12,26,30,20,6,13,23,21,32,22,24,8,15,7,14,25/rA:32cCCCCCCONCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s8;s12;d13;s13;s15;s16;s17;s18;s15s19;s20;d21;s22;d23;s21s24;s23;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31ClN4O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.9999 |
Area: | 727.03 |
Solvation: | -4.17587 |
Coulombic: | -47.3807 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 458.981 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.18 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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