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Chemical ID: 6371563

c1cc(ccc1C(=O)NC2CCC(CC2)CC3CCC(CC3)NC(=O)c4ccc(cc4)Br)Br

Chemical ID:

6371563

Name [?]:

4-bromo-N-[4-[[4-(4-bromobenzoyl)aminocyclohexyl]methyl]cyclohexyl]-benzamide

SMILES [?]:

c1cc(ccc1C(=O)NC2CCC(CC2)CC3CCC(CC3)NC(=O)c4ccc(cc4)Br)Br

InChi [?]:

InChI=1/C27H32Br2N2O2/c28-22-9-5-20(6-10-22)26(32)30-24-13-1-18(2-14-24)17-19-3-15-25(16-4-19)31-27(33)21-7-11-23(29)12-8-21/h5-12,18-19,24-25H,1-4,13-17H2,(H,30,32)(H,31,33)

InChi Info:

AuxInfo=1/1/N:12,14,18,22,1,5,27,31,2,4,28,30,11,15,19,21,16,13,17,6,26,3,29,10,20,7,24,33,32,9,23,8,25/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:33nCCCCCCCONCCCCCCCCCCCCCNCOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;s20;s17s21;s20;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₂Br₂N₂O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	16.1347
Area:	753.238
Solvation:	-2.69625
Coulombic:	-47.7669

Bond Count [?]

All:	36
Single:	28
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	576.363
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	8.21
LogP (Chemaxon):	6.4

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value