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Chemical ID: 5997588

CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc5ccccc5c4

Chemical ID:

5997588

Name [?]:

N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-isopropyl-naphthalene-2-carboxamide

SMILES [?]:

CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)c4ccc5ccccc5c4

InChi [?]:

InChI=1/C29H29ClN4O3/c1-19(2)34(29(36)23-14-13-20-8-3-4-9-21(20)16-23)18-26(35)33-15-6-5-12-25(33)28-31-27(32-37-28)22-10-7-11-24(30)17-22/h3-4,7-11,13-14,16-17,19,25H,5-6,12,15,18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,33,34,11,10,21,32,35,20,22,12,30,29,9,37,24,5,2,31,36,19,28,23,13,6,16,14,26,25,15,17,8,4,7,27,18/E:(1,2)/rA:37cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s4;d26;s26;s28;d29;s30;s31;d32;s33;d34;d31s35;d28s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₉ClN₄O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	12.5319
Area:	663.846
Solvation:	-4.06421
Coulombic:	-48.6361

Bond Count [?]

All:	41
Single:	29
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	517.018
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.47
LogP (Chemaxon):	5.33

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value