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Chemical ID: 5999226
Chemical ID:
5999226
Name [?]:
3-(methylcarbamoylmethyl)-N,N-bis[3-(methylcarbamoylmethyl)-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 [?]:
CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)Nc3ccc(cc3)C(F)(F)F)c4ccccc4
InChi [?]:
InChI=1/C24H26F3N5O3/c1-28-20(33)15-31-16-32(19-5-3-2-4-6-19)23(21(31)34)11-13-30(14-12-23)22(35)29-18-9-7-17(8-10-18)24(25,26)27/h2-10H,11-16H2,1H3,(H,28,33)(H,29,35)
InChi Info:
AuxInfo=1/1/N:1,33,32,34,31,35,22,24,21,25,12,16,13,15,5,7,23,20,30,3,10,17,9,26,27,28,29,2,19,14,6,8,4,11,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(25,26,27)/rA:35cCNCOCNCNCCOCCNCCCONCCCCCCCFFFCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s6s9;d10;s9;s12;s13;s14;s9s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s26;s26;s8;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26F3N5O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5689 |
Area: | 672.344 |
Solvation: | -5.23973 |
Coulombic: | -93.8994 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 489.49 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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