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Chemical ID: 5999978

CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)CCc4ccccc4

Chemical ID:

5999978

Name [?]:

N-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-3-phenyl-N-propyl-propanamide

SMILES [?]:

CCCN(CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Cl)C(=O)CCc4ccccc4

InChi [?]:

InChI=1/C27H31ClN4O3/c1-2-17-31(24(33)16-11-20-8-4-3-5-9-20)19-25(34)32-18-7-6-10-23(32)27-29-26(30-35-27)21-12-14-22(28)15-13-21/h3-5,8-9,12-15,23H,2,6-7,10-11,16-19H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,33,32,34,11,10,31,35,12,29,20,24,21,23,28,3,9,5,30,19,22,13,26,6,16,14,25,15,17,4,8,27,7,18/E:(4,5)(8,9)(12,13)(14,15)/rA:35cCCCNCCONCCCCCCNCNOCCCCCCClCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;s4;d26;s26;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₁ClN₄O₃
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	14.291
Area:	759.333
Solvation:	-4.69236
Coulombic:	-46.7243

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	495.013
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.08
LogP (Chemaxon):	4.89

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