588675-32-5
3-CHLORO-4-FLUORO-N-(2-PYRIDINYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name3-CHLORO-4-FLUORO-N-(2-PYRIDINYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
FormulaC15 H10 Cl F N2 O S
1Identification
【Name】
3-CHLORO-4-FLUORO-N-(2-PYRIDINYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03943657
【English Synonyms】
【Formula】
C15 H10 Cl F N2 O S
【MolWeight】
320.774
【Inchi】
InChI=1S/C15H10ClFN2OS/c16-13-12-10(17)5-3-6-11(12)21-14(13)15(20)19-8-9-4-1-2-7-18-9/h1-7H,8H2,(H,19,20)
【InChIKey】
InChIKey=HCHJJQAJJAWLMI-UHFFFAOYSA-N
【SMILES】
c1ccnc(c1)CNC(=O)c2c(c3c(cccc3s2)F)Cl
【MOL File】
3-CHLORO-4-FLUORO-N-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CHLORO-4-FLUORO-N-(2-PYRIDINYLMETHYL)-BENZO[B]THIOPHENE-2-CARBOXAMIDE.cml