Chemical ID: 6010710

CC1CCN(CC1)C(=O)CN2CN(C3(C2=O)CCN(CC3)C(=O)c4ccco4)c5ccccc5
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

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Experimental Annotations

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Descriptor Annotations

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