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Chemical ID: 5997669

CC(C)CC(=O)N(Cc1ccccc1)CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl

Chemical ID:

5997669

Name [?]:

N-benzyl-N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-3-methyl-butanamide

SMILES [?]:

CC(C)CC(=O)N(Cc1ccccc1)CC(=O)N2CCCCC2c3nc(no3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C27H31ClN4O3/c1-19(2)16-24(33)31(17-20-8-4-3-5-9-20)18-25(34)32-15-7-6-10-23(32)27-29-26(30-35-27)21-11-13-22(28)14-12-21/h3-5,8-9,11-14,19,23H,6-7,10,15-18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,12,11,13,21,20,10,14,22,30,34,31,33,19,4,8,15,2,9,29,32,23,5,16,26,24,35,25,27,7,18,6,17,28/E:(1,2)(4,5)(8,9)(11,12)(13,14)/rA:35cCCCCCONCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s7;s15;d16;s16;s18;s19;s20;s21;s18s22;s23;d24;s25;d26;s24s27;s26;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₁ClN₄O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	13.9133
Area:	743.818
Solvation:	-4.68212
Coulombic:	-46.8129

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	495.013
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.64
LogP (Chemaxon):	4.97

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