Chemical ID: 6556773

CC(=O)c1cccc(c1)NC(=O)COC(=O)c2ccc(c(c2)OC)OC
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

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Descriptor Annotations

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