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Chemical ID: 6032115
Chemical ID:
6032115
Name [?]:
N-isopropyl-N-[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]ethyl]furan-3-carboxamide
SMILES [?]:
CC(C)N(CCC(=O)N1CC2(CC1CC(C2)(C)C)C)C(=O)c3ccoc3
InChi [?]:
InChI=1/C21H32N2O3/c1-15(2)22(19(25)16-7-9-26-12-16)8-6-18(24)23-14-21(5)11-17(23)10-20(3,4)13-21/h7,9,12,15,17H,6,8,10-11,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,19,6,23,5,24,14,12,26,16,10,2,22,13,7,20,15,11,4,9,8,21,25/E:(1,2)(3,4)/rA:26cCCCNCCCONCCCCCCCCCCCOCCCOC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s13;s14;s11s15;s15;s15;s11;s4;d20;s20;s22;d23;s24;d22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H32N2O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.4184 |
Area: | 547.542 |
Solvation: | -3.27011 |
Coulombic: | -39.3202 |
Bond Count [?]
All: | 28 |
Single: | 24 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 360.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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