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Chemical ID: 6008458
Chemical ID:
6008458
Name [?]:
3-(cyclohexylcarbamoylmethyl)-4-oxo-1-phenyl-N-tert-butyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C26H39N5O3/c1-25(2,3)28-24(34)29-16-14-26(15-17-29)23(33)30(19-31(26)21-12-8-5-9-13-21)18-22(32)27-20-10-6-4-7-11-20/h5,8-9,12-13,20H,4,6-7,10-11,14-19H2,1-3H3,(H,27,32)(H,28,34)
InChi Info:
AuxInfo=1/1/N:1,3,4,32,22,31,33,21,23,30,34,20,24,10,12,9,13,25,17,29,19,26,14,6,2,11,28,5,8,16,18,27,15,7/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:34cCCCCNCONCCCCCCONCNCCCCCCCCONCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s11s17;s18;s19;d20;s21;d22;d19s23;s16;s25;d26;s26;s28;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H39N5O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0543 |
Area: | 703.858 |
Solvation: | -4.54214 |
Coulombic: | -75.8949 |
Bond Count [?]
All: | 37 |
Single: | 31 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 469.62 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.35 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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