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Chemical ID: 7097824
Chemical ID:
7097824
Name [?]:
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4)SC
InChi [?]:
InChI=1/C22H24N4O3S/c1-28-18-7-3-5-15(13-18)20-24-21(29-25-20)16-6-4-12-26(14-16)22(27)23-17-8-10-19(30-2)11-9-17/h3,5,7-11,13,16H,4,6,12,14H2,1-2H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,30,5,16,6,15,4,24,28,25,27,17,8,19,7,14,23,3,26,9,11,20,22,10,13,18,21,2,12,29/E:(8,9)(10,11)/rA:30cCOCCCCCCCNCONCCCCNCCONCCCCCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N4O3S |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4052 |
Area: | 665.822 |
Solvation: | -4.24036 |
Coulombic: | -50.3173 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 424.517 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.1 |
LogP (Chemaxon): | 4.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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