Chemical ID: 6559673

CC(=O)c1cccc(c1)NC(=O)COc2ccc(cc2)c3ccc(cc3)C(=O)OC
Chemical ID:
6559673
Name [?]:
methyl 4-[4-[(3-acetylphenyl)carbamoylmethoxy]phenyl]benzoate
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)COc2ccc(cc2)c3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C24H21NO5/c1-16(26)20-4-3-5-21(14-20)25-23(27)15-30-22-12-10-18(11-13-22)17-6-8-19(9-7-17)24(28)29-2/h3-14H,15H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,30,6,5,7,22,26,23,25,17,19,16,20,9,13,2,21,18,24,4,8,15,11,27,10,3,12,28,29,14/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCOCCCCCCNCOCOCCCCCCCCCCCCCOOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s23;d24;d21s25;s24;d27;s27;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21NO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.80447
Area:663.654
Solvation:-6.78687
Coulombic:-55.715
Bond Count [?]
All:32
Single:20
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:403.427
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.39
LogP (Chemaxon):3.42

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Descriptor Annotations

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