29209-27-6
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-(4-ACETYLPHENYL)-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE
Name2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-(4-ACETYLPHENYL)-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE
1Identification
【Name】
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-(4-ACETYLPHENYL)-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE
【CAS】
【MDL】
MFCD17019447
【English Synonyms】
【Formula】
C18 H16 N2 O5 S
【MolWeight】
372.399
【Inchi】
InChI=1S/C18H16N2O5S/c1-11(21)12-7-9-13(10-8-12)19-17(22)16-14-5-3-4-6-15(14)26(24,25)20(2)18(16)23/h3-10,16H,1-2H3,(H,19,22)
【InChIKey】
InChIKey=PJGDQWOAZKKGPQ-UHFFFAOYSA-N
【SMILES】
CC(=O)c1ccc(cc1)NC(=O)C2c3ccccc3S(=O)(=O)N(C2=O)C
【MOL File】
2H-1,2-BENZOTHIAZINE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-(4-ACETYLPHENYL)-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE.cml