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Chemical ID: 7267569
Chemical ID:
7267569
Name [?]:
(3,5-dimethoxy-4-methyl-phenyl)-(2,6-dimethylmorpholin-4-yl)-methanone
SMILES [?]:
Cc1c(cc(cc1OC)C(=O)N2CC(OC(C2)C)C)OC
InChi [?]:
InChI=1/C16H23NO4/c1-10-8-17(9-11(2)21-10)16(18)13-6-14(19-4)12(3)15(7-13)20-5/h6-7,10-11H,8-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:18,19,1,9,21,6,4,17,13,16,14,2,5,7,3,10,12,11,8,20,15/E:(1,2)(4,5)(6,7)(8,9)(10,11)(14,15)(19,20)/rA:21cCCCCCCCOCCONCCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;d10;s10;s12;s13;s14;s15;s12s16;s16;s14;s3;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23NO4 |
All Atoms: | 44 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.90436 |
Area: | 482.78 |
Solvation: | -5.16513 |
Coulombic: | -38.8704 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.358 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.14 |
LogP (Chemaxon): | 1.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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