Chemical ID: 7045282

CC1(C2(CCC1(C(=O)C2=O)C(=O)NCCCCCCNC(=O)C34CCC(C3(C)C)(C(=O)C4=O)C)C)C
Chemical ID:
7045282
Name [?]:
4,7,7-trimethyl-2,3-dioxo-N-[6-(4,7,7-trimethyl-2,3-dioxo-norbornan-1-yl)carbonylaminohexyl]norbornane-1-carboxamide
SMILES [?]:
CC1(C2(CCC1(C(=O)C2=O)C(=O)NCCCCCCNC(=O)C34CCC(C3(C)C)(C(=O)C4=O)C)C)C
InChi [?]:
InChI=1/C28H40N2O6/c1-23(2)25(5)11-13-27(23,19(33)17(25)31)21(35)29-15-9-7-8-10-16-30-22(36)28-14-12-26(6,24(28,3)4)18(32)20(28)34/h7-16H2,1-6H3,(H,29,35)(H,30,36)
InChi Info:
AuxInfo=1/1/N:1,36,28,29,35,34,16,17,15,18,4,25,5,24,14,19,9,30,7,32,11,21,2,27,3,26,6,23,13,20,10,31,8,33,12,22/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/gE:(1,2)/rA:36cCCCCCCCOCOCONCCCCCCNCOCCCCCCCCOCOCCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s3s7;d9;s6;d11;s11;s13;s14;s15;s16;s17;s18;s19;s20;d21;s21;s23;s24;s25;s23s26;s27;s27;s26;d30;s23s30;d32;s26;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H40N2O6
All Atoms:76
Heavy Atoms:36
Chiral Atoms:4
ZAP Information [?]
Total:12.761
Area:759.105
Solvation:-6.21666
Coulombic:-73.9261
Bond Count [?]
All:39
Single:33
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:500.627
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.22
LogP (Chemaxon):6.19

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