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Chemical ID: 6000061
Chemical ID:
6000061
Name [?]:
N-allyl-2-chloro-N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]acetamide
SMILES [?]:
C=CCN(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)CCl
InChi [?]:
InChI=1/C20H22Cl2N4O3/c1-2-9-25(17(27)12-21)13-18(28)26-10-4-3-8-16(26)20-23-19(24-29-20)14-6-5-7-15(22)11-14/h2,5-7,11,16H,1,3-4,8-10,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,11,10,21,20,22,12,3,9,24,28,5,19,23,13,26,6,16,14,29,25,15,17,4,8,27,7,18/rA:29cCCCNCCONCCCCCCNCNOCCCCCCClCOCCl/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s4;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22Cl2N4O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3232 |
Area: | 653.159 |
Solvation: | -5.00576 |
Coulombic: | -46.1079 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 437.319 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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