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Chemical ID: 6000005

CC(C)(CCl)C(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br

Chemical ID:

6000005

Name [?]:

N-allyl-N-[[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-3-chloro-2,2-dimethyl-propanamide

SMILES [?]:

CC(C)(CCl)C(=O)N(CC=C)CC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)Br

InChi [?]:

InChI=1/C23H28BrClN4O3/c1-4-12-28(22(31)23(2,3)15-25)14-19(30)29-13-6-5-7-18(29)21-26-20(27-32-21)16-8-10-17(24)11-9-16/h4,8-11,18H,1,5-7,12-15H2,2-3H3

InChi Info:

AuxInfo=1/0/N:11,1,3,10,18,17,19,27,31,28,30,9,16,12,4,26,29,20,13,23,21,6,2,32,5,22,24,8,15,14,7,25/E:(2,3)(8,9)(10,11)/rA:32cCCCCClCONCCCCCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;s2;s4;s2;d6;s6;s8;s9;d10;s8;s12;d13;s13;s15;s16;s17;s18;s15s19;s20;d21;s22;d23;s21s24;s23;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₈BrClN₄O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.9891
Area:	689.863
Solvation:	-4.25751
Coulombic:	-47.2678

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	523.85
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.48
LogP (Chemaxon):	4.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value