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Chemical ID: 5989281
Chemical ID:
5989281
Name [?]:
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-diisopropylphenyl)-piperidine-1-carboxamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl)C(C)C
InChi [?]:
InChI=1/C26H31ClN4O2/c1-16(2)21-8-5-9-22(17(3)4)23(21)28-26(32)31-14-6-7-19(15-31)25-29-24(30-33-25)18-10-12-20(27)13-11-18/h5,8-13,16-17,19H,6-7,14-15H2,1-4H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,3,32,33,6,15,16,5,7,25,29,26,28,14,18,2,31,24,17,27,4,8,9,21,19,11,30,10,20,22,13,12,23/E:(1,2,3,4)(8,9)(10,11)(12,13)(16,17)(21,22)/rA:33cCCCCCCCCCNCONCCCCCCNCNOCCCCCCClCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;s8;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31ClN4O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 15.2828 |
Area: | 713.223 |
Solvation: | -2.54779 |
Coulombic: | -45.1819 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 467.003 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.45 |
LogP (Chemaxon): | 5.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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