Chemical ID: 5748039

c1ccc(c(c1)CC(=O)OCC(=O)N2CC(=O)Nc3c2cccc3)F
Chemical ID:
5748039
Name [?]:
(3-oxo-2,4-dihydroquinoxalin-1-yl)carbonylmethyl 2-(2-fluorophenyl)acetate
SMILES [?]:
c1ccc(c(c1)CC(=O)OCC(=O)N2CC(=O)Nc3c2cccc3)F
InChi [?]:
InChI=1/C18H15FN2O4/c19-13-6-2-1-5-12(13)9-18(24)25-11-17(23)21-10-16(22)20-14-7-3-4-8-15(14)21/h1-8H,9-11H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,6,3,24,21,7,15,11,5,4,19,20,16,12,8,25,18,14,17,13,9,10/rA:25nCCCCCCCCOOCCONCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s14;s15;d16;s16;s18;s14s19;d20;s21;d22;d19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15FN2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.03319
Area:536.78
Solvation:-5.38632
Coulombic:-58.5056
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.321
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.53
LogP (Chemaxon):1.74

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