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Chemical ID: 6000001

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

Chemical ID:

6000001

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C24H31BrN4O3/c1-5-13-28(20(30)15-24(2,3)4)16-21(31)29-14-7-6-8-19(29)23-26-22(27-32-23)17-9-11-18(25)12-10-17/h5,9-12,19H,1,6-8,13-16H2,2-4H3

InChi Info:

AuxInfo=1/0/N:11,1,3,4,10,18,17,19,27,31,28,30,9,16,5,12,26,29,20,6,13,23,21,2,32,22,24,8,15,7,14,25/E:(2,3,4)(9,10)(11,12)/rA:32cCCCCCCONCCCCCONCCCCCCNCNOCCCCCCBr/rB:s1;s2;s2;s2;s5;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:	C₂₄H₃₁BrN₄O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.4367
Area:	698.035
Solvation:	-4.0142
Coulombic:	-47.1067

Bond Count [?]

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

Chemical Properties

Molecular Weight:	503.432
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.33
LogP (Chemaxon):	4.64

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