Chemical ID: 6325029

c1ccc(cc1)CCN2CCC3(CC2)C(=O)NCN3c4ccccc4
Chemical ID:
6325029
Name [?]:
8-phenethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
c1ccc(cc1)CCN2CCC3(CC2)C(=O)NCN3c4ccccc4
InChi [?]:
InChI=1/C21H25N3O/c25-20-21(24(17-22-20)19-9-5-2-6-10-19)12-15-23(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,23,2,6,22,24,3,5,21,25,7,11,13,8,10,14,18,4,20,15,12,17,9,19,16/E:(3,4)(5,6)(7,8)(9,10)(12,13)(15,16)/rA:25cCCCCCCCCNCCCCCCONCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s12s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.1872
Area:530.401
Solvation:-3.07286
Coulombic:-35.416
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.443
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.35
LogP (Chemaxon):3.41

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Descriptor Annotations

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