Chemical ID: 6243351

c1c(cc2c(c1F)nc(s2)NC(=O)C3=COCCO3)F
Chemical ID:
6243351
Name [?]:
N-(4,6-difluorobenzothiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide
SMILES [?]:
c1c(cc2c(c1F)nc(s2)NC(=O)C3=COCCO3)F
InChi [?]:
InChI=1/C12H8F2N2O3S/c13-6-3-7(14)10-9(4-6)20-12(15-10)16-11(17)8-5-18-1-2-19-8/h3-5H,1-2H2,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:17,18,1,3,15,2,6,14,4,5,12,9,20,7,8,11,13,16,19,10/rA:20nCCCCCCFNCSNCOCCOCCOF/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;s4s9;s9;s11;d12;s12;d14;s15;s16;s17;s14s18;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8F2N2O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.26185
Area:441.314
Solvation:-4.77099
Coulombic:-50.0851
Bond Count [?]
All:22
Single:16
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:298.266
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.81
LogP (Chemaxon):2.32

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Descriptor Annotations

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