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Chemical ID: 6008457
Chemical ID:
6008457
Name [?]:
2-(cyclohexylcarbamoylmethyl)-N,N-bis[2-(cyclohexylcarbamoylmethyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]dec-9-yl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)NC4CCCCC4)CC(=O)NC5CCCCC5
InChi [?]:
InChI=1/C28H41N5O3/c34-25(29-22-10-4-1-5-11-22)20-32-21-33(24-14-8-3-9-15-24)28(26(32)35)16-18-31(19-17-28)27(36)30-23-12-6-2-7-13-23/h3,8-9,14-15,22-23H,1-2,4-7,10-13,16-21H2,(H,29,34)(H,30,36)
InChi Info:
AuxInfo=1/1/N:34,24,1,33,35,23,25,2,6,32,36,22,26,3,5,13,17,14,16,27,8,31,21,4,28,10,18,12,30,20,15,9,7,29,11,19/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:36cCCCCCCNCNCOCCCNCCCONCCCCCCCCONCCCCCC/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;s21s25;s9;s27;d28;s28;s30;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H41N5O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5755 |
Area: | 734.638 |
Solvation: | -4.79041 |
Coulombic: | -76.3025 |
Bond Count [?]
All: | 40 |
Single: | 34 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 495.657 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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