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Chemical ID: 5989119

Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)Nc4cccc5c4cccc5

Chemical ID:

5989119

Name [?]:

4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)Nc4cccc5c4cccc5

InChi [?]:

InChI=1/C25H24N4O2/c1-17-9-11-19(12-10-17)23-27-24(31-28-23)20-13-15-29(16-14-20)25(30)26-22-8-4-6-18-5-2-3-7-21(18)22/h2-12,20H,13-16H2,1H3,(H,26,30)

InChi Info:

AuxInfo=1/1/N:1,30,29,24,31,25,28,23,3,7,4,6,14,18,15,17,2,26,5,13,27,22,8,10,19,21,9,12,16,20,11/E:(9,10)(11,12)(13,14)(15,16)/rA:31nCCCCCCCCNCONCCCNCCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;d28;s29;s26d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₄O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.3988
Area:	649.372
Solvation:	-2.8355
Coulombic:	-44.6822

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	412.484
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.14
LogP (Chemaxon):	5.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value