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Chemical ID: 5998722
Chemical ID:
5998722
Name [?]:
8-(2,2-dimethylpropanoyl)-1-phenyl-3-(pyrrolidin-1-ylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CC(C)(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N4CCCC4
InChi [?]:
InChI=1/C24H34N4O3/c1-23(2,3)21(30)26-15-11-24(12-16-26)22(31)27(17-20(29)25-13-7-8-14-25)18-28(24)19-9-5-4-6-10-19/h4-6,9-10H,7-8,11-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,21,20,22,29,30,19,23,9,11,28,31,8,12,24,16,18,25,5,13,2,10,27,7,15,17,26,6,14/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:31cCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;s2;s2;s2;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: | 10.6373 |
Area: | 628.028 |
Solvation: | -5.06339 |
Coulombic: | -56.3076 |
Bond Count [?]
All: | 34 |
Single: | 28 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 426.552 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.98 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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