Chemical ID: 7261039

c1cc2c(cc1C(=O)Nc3ccc(c(c3)F)F)NC(=O)CS2
Chemical ID:
7261039
Name [?]:
N-(3,4-difluorophenyl)-4-oxo-2-thia-5-azabicyclo[4.4.0]deca-6,8,10-triene-8-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)Nc3ccc(c(c3)F)F)NC(=O)CS2
InChi [?]:
InChI=1/C15H10F2N2O2S/c16-10-3-2-9(6-11(10)17)18-15(21)8-1-4-13-12(5-8)19-14(20)7-22-13/h1-6H,7H2,(H,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,11,12,2,5,15,21,6,10,13,14,4,3,19,7,17,16,9,18,20,8,22/rA:22nCCCCCCCONCCCCCCFFNCOCS/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;s4;s18;d19;s19;s3s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10F2N2O2S
All Atoms:32
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.28758
Area:478.517
Solvation:-4.67536
Coulombic:-48.4908
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:320.315
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.51
LogP (Chemaxon):2.75

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Descriptor Annotations

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