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Chemical ID: 5997623

COCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)C=Cc4ccccc4

Chemical ID:

5997623

Name [?]:

N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-(2-methoxyethyl)-3-phenyl-prop-2-enamide

SMILES [?]:

COCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)C=Cc4ccccc4

InChi [?]:

InChI=1/C27H29ClN4O4/c1-35-18-17-31(24(33)15-10-20-7-3-2-4-8-20)19-25(34)32-16-6-5-9-23(32)27-29-26(30-36-27)21-11-13-22(28)14-12-21/h2-4,7-8,10-15,23H,5-6,9,16-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,34,33,35,12,11,32,36,13,30,21,25,22,24,29,10,4,3,6,31,20,23,14,27,7,17,15,26,16,18,5,9,28,8,2,19/E:(3,4)(7,8)(11,12)(13,14)/rA:36cCOCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCC/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;s23;s5;d27;s27;w29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₉ClN₄O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	1

ZAP Information [?]

Total:	11.953
Area:	729.392
Solvation:	-6.28184
Coulombic:	-54.6022

Bond Count [?]

All:	39
Single:	28
Double:	11
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	508.996
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.4
LogP (Chemaxon):	4.0

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