ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 6482679

Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)Nc4cc(cc(c4)C)C

Chemical ID:

6482679

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)Nc4cc(cc(c4)C)C

InChi [?]:

InChI=1/C23H26N4O2/c1-15-4-6-18(7-5-15)21-25-22(29-26-21)19-8-10-27(11-9-19)23(28)24-20-13-16(2)12-17(3)14-20/h4-7,12-14,19H,8-11H2,1-3H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,28,29,3,7,4,6,14,18,15,17,25,27,23,2,26,24,5,13,22,8,10,19,21,9,12,16,20,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/rA:29nCCCCCCCCNCONCCCNCCCONCCCCCCCC/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;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₄O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2516
Area:	641.019
Solvation:	-2.77388
Coulombic:	-43.1634

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	390.478
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.75
LogP (Chemaxon):	5.28

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value