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Chemical ID: 5989543
Chemical ID:
5989543
Name [?]:
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)NCc4ccccc4
InChi [?]:
InChI=1/C22H24N4O3/c1-28-18-11-7-10-17(14-18)20-24-21(29-25-20)19-12-5-6-13-26(19)22(27)23-15-16-8-3-2-4-9-16/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,16,17,5,25,29,6,4,15,18,8,23,24,7,3,14,9,11,20,22,10,13,19,21,2,12/E:(3,4)(8,9)/rA:29cCOCCCCCCCNCONCCCCCNCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N4O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2496 |
Area: | 621.816 |
Solvation: | -4.29575 |
Coulombic: | -51.5283 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 392.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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