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Chemical ID: 5998771
Chemical ID:
5998771
Name [?]:
8-(3-methylbutanoyl)-3-(morpholinocarbonylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CC(C)CC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCOCC4
InChi [?]:
InChI=1/C24H34N4O4/c1-19(2)16-21(29)25-10-8-24(9-11-25)23(31)27(17-22(30)26-12-14-32-15-13-26)18-28(24)20-6-4-3-5-7-20/h3-7,19H,8-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,22,19,23,9,11,8,12,28,32,29,31,4,24,16,2,18,5,25,13,10,7,27,15,17,6,26,14,30/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32cCCCCCONCCCCCCONCNCCCCCCCCONCCOCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s10s16;s17;s18;d19;s20;d21;d18s22;s15;s24;d25;s25;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N4O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.87512 |
Area: | 659.056 |
Solvation: | -6.60126 |
Coulombic: | -63.2676 |
Bond Count [?]
All: | 35 |
Single: | 29 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 442.551 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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