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Chemical ID: 5998692
Chemical ID:
5998692
Name [?]:
8-pentanoyl-1-phenyl-3-(pyrrolidin-1-ylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CCCCC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCC4
InChi [?]:
InChI=1/C24H34N4O3/c1-2-3-11-21(29)26-16-12-24(13-17-26)23(31)27(18-22(30)25-14-7-8-15-25)19-28(24)20-9-5-4-6-10-20/h4-6,9-10H,2-3,7-8,11-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,21,20,22,29,30,19,23,4,9,11,28,31,8,12,24,16,18,5,25,13,10,27,7,15,17,6,26,14/E:(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)/rA:31cCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s10s16;s17;s18;d19;s20;d21;d18s22;s15;s24;d25;s25;s27;s28;s29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H34N4O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2774 |
Area: | 658.295 |
Solvation: | -5.17997 |
Coulombic: | -55.7537 |
Bond Count [?]
All: | 34 |
Single: | 28 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 426.552 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.62 |
LogP (Chemaxon): | 1.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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