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Chemical ID: 6000142

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

Chemical ID:

6000142

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C30H31ClN4O3/c1-2-3-16-34(30(37)24-15-14-21-9-4-5-10-22(21)18-24)20-27(36)35-17-7-6-13-26(35)29-32-28(33-38-29)23-11-8-12-25(31)19-23/h4-5,8-12,14-15,18-19,26H,2-3,6-7,13,16-17,20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,34,35,12,11,22,33,36,21,23,13,31,30,4,10,38,25,6,32,37,20,29,24,14,7,17,15,27,26,16,18,5,9,8,28,19/rA:38cCCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s5;d27;s27;s29;d30;s31;s32;d33;s34;d35;d32s36;d29s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₃₁ClN₄O₃
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	14.8342
Area:	766.059
Solvation:	-4.31731
Coulombic:	-49.265

Bond Count [?]

All:	42
Single:	30
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	531.045
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.94
LogP (Chemaxon):	5.78

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