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Chemical ID: 4566973
Chemical ID:
4566973
Name [?]:
N-(2-furylmethyl)-2-[2-isopropyl-4-(2-methoxyphenyl)-tetrahydropyran-4-yl]-acetamide
SMILES [?]:
CC(C)C1CC(CCO1)(CC(=O)NCc2ccco2)c3ccccc3OC
InChi [?]:
InChI=1/C22H29NO4/c1-16(2)20-13-22(10-12-27-20,18-8-4-5-9-19(18)25-3)14-21(24)23-15-17-7-6-11-26-17/h4-9,11,16,20H,10,12-15H2,1-3H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,27,22,23,17,16,21,24,7,18,8,5,10,14,2,15,20,25,4,11,6,13,12,26,19,9/E:(1,2)/rA:27cCCCCCCCCOCCONCCCCCOCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s6;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s6;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.49749 |
Area: | 584.971 |
Solvation: | -5.12679 |
Coulombic: | -43.769 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.81 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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