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Chemical ID: 5998283
Chemical ID:
5998283
Name [?]:
2-[8-(3-cyclopentylpropanoyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]dec-2-yl]-N-cyclopropyl-acetamide
SMILES [?]:
c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)CCC4CCCC4)CC(=O)NC5CC5
InChi [?]:
InChI=1/C26H36N4O3/c31-23(27-21-11-12-21)18-29-19-30(22-8-2-1-3-9-22)26(25(29)33)14-16-28(17-15-26)24(32)13-10-20-6-4-5-7-20/h1-3,8-9,20-21H,4-7,10-19H2,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,25,23,26,3,5,21,32,33,20,13,17,14,16,27,8,22,31,4,28,18,10,12,30,15,9,7,29,19,11/E:(2,3)(4,5)(6,7)(8,9)(11,12)(14,15)(16,17)/rA:33cCCCCCCNCNCOCCCNCCCOCCCCCCCCCONCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s22;s23;s24;s22s25;s9;s27;d28;s28;s30;s31;s31s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N4O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5684 |
Area: | 699.7 |
Solvation: | -4.92413 |
Coulombic: | -60.9185 |
Bond Count [?]
All: | 37 |
Single: | 31 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 452.589 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.82 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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