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Chemical ID: 7045282
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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