Chemical ID: 6010976

CC1CCN(CC1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)Nc4ccccc4F)c5ccccc5
Chemical ID:
6010976
Name [?]:
3-[(4-methyl-1-piperidyl)carbonylmethyl]-N,N-bis[3-[(4-methyl-1-piperidyl)carbonylmethyl]-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 [?]:
CC1CCN(CC1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)Nc4ccccc4F)c5ccccc5
InChi [?]:
InChI=1/C28H34FN5O3/c1-21-11-15-31(16-12-21)25(35)19-33-20-34(22-7-3-2-4-8-22)28(26(33)36)13-17-32(18-14-28)27(37)30-24-10-6-5-9-23(24)29/h2-10,21H,11-20H2,1H3,(H,30,37)
InChi Info:
AuxInfo=1/1/N:1,35,34,36,28,27,33,37,29,26,3,7,17,21,4,6,18,20,10,12,2,32,30,25,8,15,22,14,31,24,5,19,11,13,9,16,23/E:(3,4)(7,8)(11,12)(13,14)(15,16)(17,18)/rA:37cCCCCNCCCOCNCNCCOCCNCCCONCCCCCCFCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;s13;s11s14;d15;s14;s17;s18;s19;s14s20;s19;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s13;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H34FN5O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.0918
Area:720.87
Solvation:-4.92996
Coulombic:-76.0058
Bond Count [?]
All:41
Single:32
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:507.6
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.46
LogP (Chemaxon):2.78

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Experimental Annotations

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Descriptor Annotations

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