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Chemical ID: 5996646

Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4cc(cc(c4)OC)OC

Chemical ID:

5996646

Name [?]:

(3,5-dimethoxyphenyl)-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)C3CCCN3C(=O)c4cc(cc(c4)OC)OC

InChi [?]:

InChI=1/C22H23N3O4/c1-14-6-8-15(9-7-14)20-23-21(29-24-20)19-5-4-10-25(19)22(26)16-11-17(27-2)13-18(12-16)28-3/h6-9,11-13,19H,4-5,10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,27,29,15,14,3,7,4,6,16,25,21,23,2,5,20,24,22,13,8,10,18,9,12,17,19,26,28,11/E:(2,3)(6,7)(8,9)(11,12)(17,18)(27,28)/rA:29cCCCCCCCCNCONCCCCNCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s13s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s22;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃N₃O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	10.2063
Area:	614.82
Solvation:	-5.16422
Coulombic:	-44.1535

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	393.436
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.29
LogP (Chemaxon):	3.45

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