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Chemical ID: 6556773
Chemical ID:
6556773
Name [?]:
(3-acetylphenyl)carbamoylmethyl 3,4-dimethoxybenzoate
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)COC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C19H19NO6/c1-12(21)13-5-4-6-15(9-13)20-18(22)11-26-19(23)14-7-8-16(24-2)17(10-14)25-3/h4-10H,11H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,6,5,7,18,19,9,22,13,2,4,17,8,20,21,11,15,10,3,12,16,25,23,14/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;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO6 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.89405 |
Area: | 591.574 |
Solvation: | -7.8953 |
Coulombic: | -60.5024 |
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: | 2.1 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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