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Chemical ID: 6008279
Chemical ID:
6008279
Name [?]:
2-(8-cyclobutylcarbonyl-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]dec-2-yl)-N-(cyclohexylmethyl)acetamide
SMILES [?]:
c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)C4CCC4)CC(=O)NCC5CCCCC5
InChi [?]:
InChI=1/C27H38N4O3/c32-24(28-18-21-8-3-1-4-9-21)19-30-20-31(23-12-5-2-6-13-23)27(26(30)34)14-16-29(17-15-27)25(33)22-10-7-11-22/h2,5-6,12-13,21-22H,1,3-4,7-11,14-20H2,(H,28,32)
InChi Info:
AuxInfo=1/1/N:32,1,31,33,2,6,22,30,34,21,23,3,5,13,17,14,16,28,24,8,29,20,4,25,18,10,12,27,15,9,7,26,19,11/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:34cCCCCCCNCNCOCCCNCCCOCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s20s22;s9;s24;d25;s25;s27;s28;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H38N4O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6508 |
Area: | 699.835 |
Solvation: | -4.84513 |
Coulombic: | -61.8542 |
Bond Count [?]
All: | 38 |
Single: | 32 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 466.616 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.8 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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