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Chemical ID: 6008316
Chemical ID:
6008316
Name [?]:
2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl)-N-butyl-acetamide
SMILES [?]:
CCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)CCC)c3ccccc3
InChi [?]:
InChI=1/C23H34N4O3/c1-3-5-14-24-20(28)17-26-18-27(19-10-7-6-8-11-19)23(22(26)30)12-15-25(16-13-23)21(29)9-4-2/h6-8,10-11H,3-5,9,12-18H2,1-2H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,24,2,23,3,28,27,29,22,26,30,15,19,4,16,18,8,10,25,6,20,13,12,5,17,9,11,7,21,14/E:(7,8)(10,11)(12,13)(15,16)/rA:30cCCCCNCOCNCNCCOCCNCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;s11;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H34N4O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9762 |
Area: | 656.86 |
Solvation: | -4.44527 |
Coulombic: | -61.593 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.541 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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