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Chemical ID: 6000062
Chemical ID:
6000062
Name [?]:
N-allyl-N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]propanamide
SMILES [?]:
CCC(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C21H25ClN4O3/c1-3-11-25(18(27)4-2)14-19(28)26-12-6-5-10-17(26)21-23-20(24-29-21)15-8-7-9-16(22)13-15/h3,7-9,13,17H,1,4-6,10-12,14H2,2H3
InChi Info:
AuxInfo=1/0/N:8,1,7,2,15,14,25,24,26,16,6,13,28,9,23,27,17,3,10,20,18,29,19,21,5,12,4,11,22/rA:29cCCCONCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H25ClN4O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0215 |
Area: | 648.014 |
Solvation: | -4.1788 |
Coulombic: | -46.3832 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 416.901 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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