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Chemical ID: 6008268
Chemical ID:
6008268
Name [?]:
N-(cyclohexylmethyl)-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)NCC4CCCCC4
InChi [?]:
InChI=1/C30H46N4O3/c1-3-5-14-25(4-2)28(36)32-19-17-30(18-20-32)29(37)33(23-34(30)26-15-10-7-11-16-26)22-27(35)31-21-24-12-8-6-9-13-24/h7,10-11,15-16,24-25H,3-6,8-9,12-14,17-23H2,1-2H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,35,24,34,36,23,25,33,37,4,22,26,12,14,11,15,31,27,19,32,5,21,28,8,16,13,30,10,18,20,29,9,17/E:(8,9)(10,11)(12,13)(15,16)(17,18)(19,20)/rA:37cCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCCC/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;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H46N4O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 14.177 |
Area: | 766.711 |
Solvation: | -4.9908 |
Coulombic: | -63.0296 |
Bond Count [?]
All: | 40 |
Single: | 34 |
Double: | 6 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 510.711 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.85 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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