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Chemical ID: 5238962
Chemical ID:
5238962
Name [?]:
2-[6-[(4-methoxyphenyl)methyl]benzo[1,3]dioxol-5-yl]oxy-1-morpholino-ethanone
SMILES [?]:
COc1ccc(cc1)Cc2cc3c(cc2OCC(=O)N4CCOCC4)OCO3
InChi [?]:
InChI=1/C21H23NO6/c1-24-17-4-2-15(3-5-17)10-16-11-19-20(28-14-27-19)12-18(16)26-13-21(23)22-6-8-25-9-7-22/h2-5,11-12H,6-10,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,21,25,22,24,9,11,14,17,27,6,10,3,15,12,13,18,20,19,2,23,16,28,26/E:(2,3)(4,5)(6,7)(8,9)/rA:28nCOCCCCCCCCCCCCCOCCONCCOCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;s13;s26;s12s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23NO6 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.7281 |
Area: | 592.771 |
Solvation: | -8.09119 |
Coulombic: | -54.3268 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 385.41 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.28 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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