Chemical ID: 4215093

COc1cc(cc(c1OC)OC)C(=O)N2CCOCC2
Chemical ID:
4215093
Name [?]:
morpholino-(3,4,5-trimethoxyphenyl)-methanone
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)N2CCOCC2
InChi [?]:
InChI=1/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,16,20,17,19,4,6,5,3,7,8,13,15,14,2,11,9,18/E:(1,2)(4,5)(6,7)(8,9)(11,12)(17,18)/rA:20nCOCCCCCCOCOCCONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.92587
Area:457.165
Solvation:-7.50324
Coulombic:-45.1735
Bond Count [?]
All:21
Single:17
Double:4
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:281.304
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.51
LogP (Chemaxon):0.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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