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Chemical ID: 6325029
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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