ChemDB: Chemical Search
Download
Chemical ID: 6010710
Chemical ID:
6010710
Name [?]:
8-(2-furylcarbonyl)-3-[(4-methyl-1-piperidyl)carbonylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CC1CCN(CC1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)c4ccco4)c5ccccc5
InChi [?]:
InChI=1/C26H32N4O4/c1-20-9-13-27(14-10-20)23(31)18-29-19-30(21-6-3-2-4-7-21)26(25(29)33)11-15-28(16-12-26)24(32)22-8-5-17-34-22/h2-8,17,20H,9-16,18-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,32,31,33,26,30,34,25,3,7,17,21,4,6,18,20,27,10,12,2,29,24,8,22,15,14,5,19,11,13,9,23,16,28/E:(3,4)(6,7)(9,10)(11,12)(13,14)(15,16)/rA:34cCCCCNCCCOCNCNCCOCCNCCCOCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;s13;s11s14;d15;s14;s17;s18;s19;s14s20;s19;d22;s22;d24;s25;d26;s24s27;s13;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N4O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1067 |
Area: | 671.577 |
Solvation: | -4.68272 |
Coulombic: | -67.0422 |
Bond Count [?]
All: | 38 |
Single: | 30 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 464.557 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.51 |
LogP (Chemaxon): | 1.84 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|