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Chemical ID: 5988394

CCCCOc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl

Chemical ID:

5988394

Name [?]:

(4-butoxyphenyl)-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl

InChi [?]:

InChI=1/C24H26ClN3O3/c1-2-3-15-30-20-12-10-17(11-13-20)24(29)28-14-5-4-9-21(28)23-26-22(27-31-23)18-7-6-8-19(25)16-18/h6-8,10-13,16,21H,2-5,9,14-15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,17,16,27,26,28,18,8,10,7,11,15,4,30,9,25,29,6,19,22,20,12,31,21,23,14,13,5,24/E:(10,11)(12,13)/rA:31cCCCCOCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s19;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆ClN₃O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	13.0782
Area:	679.69
Solvation:	-3.91408
Coulombic:	-39.3572

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	439.934
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.27
LogP (Chemaxon):	5.36

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