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Chemical ID: 5175811
Chemical ID:
5175811
Name [?]:
8-[4-(4-dimethylaminophenyl)-4-oxo-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)CCCN2CCC3(CC2)C(=O)NCN3c4ccccc4
InChi [?]:
InChI=1/C25H32N4O2/c1-27(2)21-12-10-20(11-13-21)23(30)9-6-16-28-17-14-25(15-18-28)24(31)26-19-29(25)22-7-4-3-5-8-22/h3-5,7-8,10-13H,6,9,14-19H2,1-2H3,(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,3,29,28,30,13,27,31,12,6,8,5,9,17,19,14,16,20,24,7,4,26,10,21,18,23,2,15,25,11,22/E:(1,2)(4,5)(7,8)(10,11)(12,13)(14,15)(17,18)/rA:31cCNCCCCCCCCOCCCNCCCCCCONCNCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s16;s17;s18;s15s19;s18;d21;s21;s23;s18s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H32N4O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4483 |
Area: | 652.458 |
Solvation: | -4.86315 |
Coulombic: | -47.4573 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 420.547 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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