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Chemical ID: 5989107
Chemical ID:
5989107
Name [?]:
N-(2-ethylphenyl)-2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-piperidine-1-carboxamide
SMILES [?]:
CCc1ccccc1NC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)C
InChi [?]:
InChI=1/C23H26N4O2/c1-3-17-8-4-5-9-19(17)24-23(28)27-15-7-6-10-20(27)22-25-21(26-29-22)18-13-11-16(2)12-14-18/h4-5,8-9,11-14,20H,3,6-7,10,15H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,29,2,5,6,15,14,4,7,16,25,27,24,28,13,26,3,23,8,17,20,18,10,9,19,21,12,11,22/E:(11,12)(13,14)/rA:29cCCCCCCCCNCONCCCCCCNCNOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.3381 |
Area: | 606.299 |
Solvation: | -2.81939 |
Coulombic: | -44.5258 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.0 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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