Chemical ID: 5713301

c1ccc2c(c1)NC(=O)CN2C(=O)COC(=O)c3c(cccc3F)F
Chemical ID:
5713301
Name [?]:
(3-oxo-2,4-dihydroquinoxalin-1-yl)carbonylmethyl 2,6-difluorobenzoate
SMILES [?]:
c1ccc2c(c1)NC(=O)CN2C(=O)COC(=O)c3c(cccc3F)F
InChi [?]:
InChI=1/C17H12F2N2O4/c18-10-4-3-5-11(19)16(10)17(24)25-9-15(23)21-8-14(22)20-12-6-1-2-7-13(12)21/h1-7H,8-9H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,6,3,10,14,19,23,5,4,8,12,18,16,25,24,7,11,9,13,17,15/E:(4,5)(10,11)(18,19)/rA:25nCCCCCCNCOCNCOCOCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12F2N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.14828
Area:521.979
Solvation:-5.90121
Coulombic:-61.8488
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:346.285
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.88
LogP (Chemaxon):1.76

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