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Chemical ID: 6008334
Chemical ID:
6008334
Name [?]:
N-butyl-2-[8-(2-furylcarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CCCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccco3)c4ccccc4
InChi [?]:
InChI=1/C24H30N4O4/c1-2-3-13-25-21(29)17-27-18-28(19-8-5-4-6-9-19)24(23(27)31)11-14-26(15-12-24)22(30)20-10-7-16-32-20/h4-10,16H,2-3,11-15,17-18H2,1H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,2,3,30,29,31,24,28,32,23,15,19,4,16,18,25,8,10,27,22,6,20,13,12,5,17,9,11,7,21,14,26/E:(5,6)(8,9)(11,12)(14,15)/rA:32cCCCCNCOCNCNCCOCCNCCCOCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;d22;s23;d24;s22s25;s11;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H30N4O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9444 |
Area: | 663.16 |
Solvation: | -4.63464 |
Coulombic: | -71.8686 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 438.52 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.35 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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