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Chemical ID: 5999145
Chemical ID:
5999145
Name [?]:
3-(isobutylcarbamoylmethyl)-N,N-bis[3-(isobutylcarbamoylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-9-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CC(C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)NC3CCCCC3)c4ccccc4
InChi [?]:
InChI=1/C26H39N5O3/c1-20(2)17-27-23(32)18-30-19-31(22-11-7-4-8-12-22)26(24(30)33)13-15-29(16-14-26)25(34)28-21-9-5-3-6-10-21/h4,7-8,11-12,20-21H,3,5-6,9-10,13-19H2,1-2H3,(H,27,32)(H,28,34)
InChi Info:
AuxInfo=1/1/N:1,3,26,32,25,27,31,33,24,28,30,34,15,19,16,18,4,8,10,2,23,29,6,13,20,12,5,22,17,9,11,7,14,21/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:34cCCCCNCOCNCNCCOCCNCCCONCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;s24;s25;s26;s23s27;s11;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H39N5O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5866 |
Area: | 714.357 |
Solvation: | -4.27229 |
Coulombic: | -76.8321 |
Bond Count [?]
All: | 37 |
Single: | 31 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 469.62 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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