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Chemical ID: 5324921
Chemical ID:
5324921
Name [?]:
8-[3-(4-fluorophenoxy)propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one
SMILES [?]:
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCOc4ccc(cc4)F
InChi [?]:
InChI=1/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,24,26,23,27,13,17,18,14,16,20,8,25,4,22,10,12,28,9,15,7,11,21/E:(2,3)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:28cCCCCCCNCNCOCCCNCCCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H26FN3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.82465 |
Area: | 584.235 |
Solvation: | -4.78122 |
Coulombic: | -45.6183 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 383.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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