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Chemical ID: 5997637

Cc1ccc(cc1)C(=O)N(Cc2ccccc2)CC(=O)N3CCCCC3c4nc(no4)c5ccc(cc5)Cl

Chemical ID:

5997637

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)C(=O)N(Cc2ccccc2)CC(=O)N3CCCCC3c4nc(no4)c5ccc(cc5)Cl

InChi [?]:

InChI=1/C30H29ClN4O3/c1-21-10-12-24(13-11-21)30(37)34(19-22-7-3-2-4-8-22)20-27(36)35-18-6-5-9-26(35)29-32-28(33-38-29)23-14-16-25(31)17-15-23/h2-4,7-8,10-17,26H,5-6,9,18-20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,14,16,24,23,13,17,25,3,7,4,6,33,37,34,36,22,11,18,2,12,32,5,35,26,19,29,27,8,38,28,30,10,21,20,9,31/E:(3,4)(7,8)(10,11)(12,13)(14,15)(16,17)/rA:38cCCCCCCCCONCCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s19;s21;s22;s23;s24;s21s25;s26;d27;s28;d29;s27s30;s29;s32;d33;s34;d35;d32s36;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₉ClN₄O₃
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	14.6567
Area:	766.532
Solvation:	-4.50665
Coulombic:	-49.1971

Bond Count [?]

All:	42
Single:	29
Double:	13
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	529.029
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.47
LogP (Chemaxon):	5.81

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