Chemical ID: 3966595

CCOC(=O)C1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3F)Cl
Chemical ID:
3966595
Name [?]:
ethyl 9-chloro-6-(2-fluorophenyl)-3-oxo-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraene-4-carboxylate
SMILES [?]:
CCOC(=O)C1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3F)Cl
InChi [?]:
InChI=1/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,19,22,12,11,14,13,18,15,23,10,16,6,7,4,25,24,9,17,8,5,3/rA:25cCCOCOCCONCCCCCCCNCCCCCCFCl/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s6d16;s16;s18;d19;s20;d21;d18s22;s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClFN2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.39165
Area:547.073
Solvation:-4.28517
Coulombic:-51.3918
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.767
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.44
LogP (Chemaxon):3.74

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