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Chemical ID: 6007807
Chemical ID:
6007807
Name [?]:
8-(2-ethylhexanoyl)-1-phenyl-3-(1-piperidylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CCCCC(CC)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCCC4
InChi [?]:
InChI=1/C28H42N4O3/c1-3-5-12-23(4-2)26(34)30-19-15-28(16-20-30)27(35)31(21-25(33)29-17-10-7-11-18-29)22-32(28)24-13-8-6-9-14-24/h6,8-9,13-14,23H,3-5,7,10-12,15-22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,3,24,33,23,25,32,34,4,22,26,12,14,31,35,11,15,27,19,5,21,28,8,16,13,30,10,18,20,29,9,17/E:(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)/rA:35cCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCC/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;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H42N4O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.8214 |
Area: | 714.79 |
Solvation: | -5.04832 |
Coulombic: | -57.3881 |
Bond Count [?]
All: | 38 |
Single: | 32 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 482.658 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.41 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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