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Chemical ID: 5997581

CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)Cc4ccc(cc4)OC

Chemical ID:

5997581

Name [?]:

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

SMILES [?]:

CC(C)N(CC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl)C(=O)Cc4ccc(cc4)OC

InChi [?]:

InChI=1/C27H31ClN4O4/c1-18(2)32(24(33)15-19-10-12-22(35-3)13-11-19)17-25(34)31-14-5-4-9-23(31)27-29-26(30-36-27)20-7-6-8-21(28)16-20/h6-8,10-13,16,18,23H,4-5,9,14-15,17H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,3,36,11,10,21,20,22,12,30,34,31,33,9,28,24,5,2,29,19,23,32,13,26,6,16,14,25,15,17,8,4,27,7,35,18/E:(1,2)(10,11)(12,13)/rA:36cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCOC/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;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₁ClN₄O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	12.5922
Area:	747.685
Solvation:	-6.09991
Coulombic:	-52.2945

Bond Count [?]

All:	39
Single:	29
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	511.012
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.93
LogP (Chemaxon):	4.19

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