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Chemical ID: 5988374
Chemical ID:
5988374
Name [?]:
[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(3,4-dichlorophenyl)-methanone
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C20H16Cl3N3O2/c21-14-5-3-4-12(10-14)18-24-19(28-25-18)17-6-1-2-9-26(17)20(27)13-7-8-15(22)16(23)11-13/h3-5,7-8,10-11,17H,1-2,6,9H2
InChi Info:
AuxInfo=1/0/N:15,16,1,2,6,14,22,23,17,4,26,3,21,5,24,25,13,8,10,19,7,28,27,9,12,18,20,11/rA:28cCCCCCCClCNCONCCCCCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16Cl3N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6096 |
Area: | 624.628 |
Solvation: | -3.00605 |
Coulombic: | -31.8401 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 436.718 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.25 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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