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Chemical ID: 5999954

CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)c4ccccc4

Chemical ID:

5999954

Name [?]:

N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-propyl-benzamide

SMILES [?]:

CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)c4ccccc4

InChi [?]:

InChI=1/C25H27ClN4O3/c1-2-15-29(25(32)19-8-4-3-5-9-19)17-22(31)30-16-7-6-10-21(30)24-27-23(28-33-24)18-11-13-20(26)14-12-18/h3-5,8-9,11-14,21H,2,6-7,10,15-17H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,31,30,32,11,10,29,33,12,20,24,21,23,3,9,5,19,28,22,13,6,16,14,26,25,15,17,4,8,7,27,18/E:(4,5)(8,9)(11,12)(13,14)/rA:33cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s4;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₇ClN₄O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	12.8115
Area:	677.511
Solvation:	-4.12626
Coulombic:	-48.4271

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	466.96
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.1
LogP (Chemaxon):	4.38

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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