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Chemical ID: 6556749
Chemical ID:
6556749
Name [?]:
(3-acetylphenyl)carbamoylmethyl 3,5-dimethoxybenzoate
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)COC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C19H19NO6/c1-12(21)13-5-4-6-15(7-13)20-18(22)11-26-19(23)14-8-16(24-2)10-17(9-14)25-3/h4-10H,11H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,26,6,5,7,9,22,18,20,13,2,4,17,8,21,19,11,15,10,3,12,16,23,25,14/E:(2,3)(8,9)(16,17)(24,25)/rA:26nCCOCCCCCCNCOCOCOCCCCCCOCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s19;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.39361 |
Area: | 590.06 |
Solvation: | -7.3579 |
Coulombic: | -60.0246 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 357.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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