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Chemical ID: 5998365
Chemical ID:
5998365
Name [?]:
N-ethyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CCC(c1ccccc1)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCC
InChi [?]:
InChI=1/C27H34N4O3/c1-3-23(21-11-7-5-8-12-21)25(33)29-17-15-27(16-18-29)26(34)30(19-24(32)28-4-2)20-31(27)22-13-9-6-10-14-22/h5-14,23H,3-4,15-20H2,1-2H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,34,2,33,7,26,6,8,25,27,5,9,24,28,14,16,13,17,29,21,4,23,3,30,10,18,15,32,12,20,22,31,11,19/E:(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:34cCCCCCCCCCCONCCCCCCONCNCCCCCCCCONCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s15s21;s22;s23;d24;s25;d26;d23s27;s20;s29;d30;s30;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H34N4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.6452 |
Area: | 673.702 |
Solvation: | -5.1973 |
Coulombic: | -62.7772 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 462.584 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.0 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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