Chemical ID: 5173679

C#CCCCCCN1CCC2(CC1)C(=O)NCN2c3ccccc3
Chemical ID:
5173679
Name [?]:
8-hept-6-ynyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
C#CCCCCCN1CCC2(CC1)C(=O)NCN2c3ccccc3
InChi [?]:
InChI=1/C20H27N3O/c1-2-3-4-5-9-14-22-15-12-20(13-16-22)19(24)21-17-23(20)18-10-7-6-8-11-18/h1,6-8,10-11H,3-5,9,12-17H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,22,21,23,6,20,24,10,12,7,9,13,17,19,14,11,16,8,18,15/E:(7,8)(10,11)(12,13)(15,16)/rA:24cCCCCCCCNCCCCCCONCNCCCCCC/rB:t1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s11s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.4745
Area:548.518
Solvation:-3.23846
Coulombic:-36.1737
Bond Count [?]
All:26
Single:21
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.448
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.4
LogP (Chemaxon):3.1

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Descriptor Annotations

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