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Chemical ID: 7097891

Cc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)OC)OC

Chemical ID:

7097891

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)OC)OC

InChi [?]:

InChI=1/C23H25N3O4/c1-15-6-8-16(9-7-15)21-24-22(30-25-21)18-5-4-12-26(14-18)23(27)17-10-11-19(28-2)20(13-17)29-3/h6-11,13,18H,4-5,12,14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,30,28,15,14,3,7,4,6,22,23,16,26,18,2,5,21,13,24,25,8,10,19,9,12,17,20,29,27,11/E:(6,7)(8,9)/rA:30cCCCCCCCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃O₄
All Atoms:	55
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3613
Area:	645.952
Solvation:	-5.78747
Coulombic:	-43.9234

Bond Count [?]

All:	33
Single:	24
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	407.462
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.95
LogP (Chemaxon):	3.58

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