Chemical ID: 6575368

CC(=O)Oc1cccc(c1)C=C2C(=O)OC(=N2)c3ccc(cc3)Oc4ccccc4
Chemical ID:
6575368
Name [?]:
[3-[[5-oxo-2-(4-phenoxyphenyl)-oxazol-4-ylidene]methyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1cccc(c1)C=C2C(=O)OC(=N2)c3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C24H17NO5/c1-16(26)28-21-9-5-6-17(14-21)15-22-24(27)30-23(25-22)18-10-12-20(13-11-18)29-19-7-3-2-4-8-19/h2-15H,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,7,8,26,30,6,19,23,20,22,10,11,2,9,18,25,21,5,12,16,13,17,3,14,4,24,15/E:(3,4)(7,8)(10,11)(12,13)/rA:30nCCOOCCCCCCCCCOOCNCCCCCCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;w11;s12;d13;s13;s15;s12d16;s16;s18;d19;s20;d21;d18s22;s21;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17NO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.8673
Area:630.664
Solvation:-3.89926
Coulombic:-53.7582
Bond Count [?]
All:33
Single:20
Double:13
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:399.396
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.04
LogP (Chemaxon):4.58

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Descriptor Annotations

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