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Chemical ID: 7097825
Chemical ID:
7097825
Name [?]:
N-(4-isopropylphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-piperidine-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H28N4O3/c1-16(2)17-9-11-20(12-10-17)25-24(29)28-13-5-7-19(15-28)23-26-22(27-31-23)18-6-4-8-21(14-18)30-3/h4,6,8-12,14,16,19H,5,7,13,15H2,1-3H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,3,31,26,15,25,16,27,5,9,6,8,14,29,18,2,4,24,17,7,28,21,19,11,10,20,22,13,12,30,23/E:(1,2)(9,10)(11,12)/rA:31cCCCCCCCCCNCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N4O3 |
All Atoms: | 59 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.9763 |
Area: | 675.45 |
Solvation: | -3.9099 |
Coulombic: | -50.6872 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 420.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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