Chemical ID: 4628788

CCOc1ccc(cc1OCC)C=C2C(=O)OC(=N2)c3cc(c(cc3Cl)F)F
Chemical ID:
4628788
Name [?]:
2-(2-chloro-4,5-difluoro-phenyl)-4-[(3,4-diethoxyphenyl)methylene]oxazol-5-one
SMILES [?]:
CCOc1ccc(cc1OCC)C=C2C(=O)OC(=N2)c3cc(c(cc3Cl)F)F
InChi [?]:
InChI=1/C20H16ClF2NO4/c1-3-26-17-6-5-11(8-18(17)27-4-2)7-16-20(25)28-19(24-16)12-9-14(22)15(23)10-13(12)21/h5-10H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,6,5,13,8,21,24,7,20,25,22,23,14,4,9,18,15,26,28,27,19,16,3,10,17/rA:28nCCOCCCCCCOCCCCCOOCNCCCCCCClFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;w13;s14;d15;s15;s17;s14d18;s18;s20;d21;s22;d23;d20s24;s25;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16ClF2NO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.77099
Area:595.387
Solvation:-7.1137
Coulombic:-47.0956
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:407.795
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.13
LogP (Chemaxon):4.63

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Descriptor Annotations

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