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Chemical ID: 5989004

Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4)SC

Chemical ID:

5989004

Name [?]:

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

SMILES [?]:

Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Nc4ccc(cc4)SC

InChi [?]:

InChI=1/C22H24N4O2S/c1-15-5-3-6-16(13-15)20-24-21(28-25-20)17-7-4-12-26(14-17)22(27)23-18-8-10-19(29-2)11-9-18/h3,5-6,8-11,13,17H,4,7,12,14H2,1-2H3,(H,23,27)

InChi Info:

AuxInfo=1/1/N:1,29,4,15,3,5,14,23,27,24,26,16,7,18,2,6,13,22,25,8,10,19,21,9,12,17,20,11,28/E:(8,9)(10,11)/rA:29cCCCCCCCCNCONCCCCNCCONCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₄O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	13.458
Area:	651.09
Solvation:	-2.81925
Coulombic:	-44.1271

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	408.518
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.62
LogP (Chemaxon):	5.15

Name Annotations

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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