Chemical ID: 4533953

c1ccc2c(c1)N(CC(=O)O2)CC(=O)OCC(=O)c3ccc(cc3)F
Chemical ID:
4533953
Name [?]:
[2-(4-fluorophenyl)-2-oxo-ethyl] 2-(3-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)acetate
SMILES [?]:
c1ccc2c(c1)N(CC(=O)O2)CC(=O)OCC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H14FNO5/c19-13-7-5-12(6-8-13)15(21)11-24-17(22)9-20-10-18(23)25-16-4-2-1-3-14(16)20/h1-8H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,20,24,21,23,12,8,16,19,22,5,17,4,13,9,25,7,18,14,10,15,11/E:(5,6)(7,8)/rA:25cCCCCCCNCCOOCCOOCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s4s9;s7;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14FNO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:7.05593
Area:539.063
Solvation:-6.42063
Coulombic:-55.5382
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.306
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.67
LogP (Chemaxon):2.3

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