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Chemical ID: 6000095

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

Chemical ID:

6000095

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C29H27ClN4O3/c1-2-15-33(29(36)23-14-13-20-8-3-4-9-21(20)17-23)19-26(35)34-16-6-5-12-25(34)28-31-27(32-37-28)22-10-7-11-24(30)18-22/h2-4,7-11,13-14,17-18,25H,1,5-6,12,15-16,19H2

InChi Info:

AuxInfo=1/0/N:1,2,33,34,11,10,21,32,35,20,22,12,30,29,3,9,37,24,5,31,36,19,28,23,13,6,16,14,26,25,15,17,4,8,7,27,18/rA:37cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCCCC/rB:d1;s2;s3;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:	C₂₉H₂₇ClN₄O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	13.6272
Area:	729.976
Solvation:	-4.62221
Coulombic:	-49.6259

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	515.003
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.2
LogP (Chemaxon):	5.31

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