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Chemical ID: 6008301
Chemical ID:
6008301
Name [?]:
N-cyclohexyl-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CCCCC(CC)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C29H44N4O3/c1-3-5-12-23(4-2)27(35)31-19-17-29(18-20-31)28(36)32(22-33(29)25-15-10-7-11-16-25)21-26(34)30-24-13-8-6-9-14-24/h7,10-11,15-16,23-24H,3-6,8-9,12-14,17-22H2,1-2H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,34,24,33,35,23,25,4,32,36,22,26,12,14,11,15,27,19,5,31,21,28,8,16,13,30,10,18,20,29,9,17/E:(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)/rA:36cCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s13s19;s20;s21;d22;s23;d24;d21s25;s18;s27;d28;s28;s30;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H44N4O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.5541 |
Area: | 740.203 |
Solvation: | -4.95093 |
Coulombic: | -62.6652 |
Bond Count [?]
All: | 39 |
Single: | 33 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 496.685 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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