29209-03-8
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-(4-BROMOPHENYL)-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE
Name2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-(4-BROMOPHENYL)-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE
FormulaC16 H13 Br N2 O4 S
1Identification
【Name】
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-(4-BROMOPHENYL)-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE
【CAS】
【MDL】
MFCD17019427
【English Synonyms】
【Formula】
C16 H13 Br N2 O4 S
【MolWeight】
409.259
【Inchi】
InChI=1S/C16H13BrN2O4S/c1-19-16(21)14(12-4-2-3-5-13(12)24(19,22)23)15(20)18-11-8-6-10(17)7-9-11/h2-9,14H,1H3,(H,18,20)
【InChIKey】
InChIKey=ZZOLDMNALGVGAO-UHFFFAOYSA-N
【SMILES】
CN1C(=O)C(c2ccccc2S1(=O)=O)C(=O)Nc3ccc(cc3)Br
【MOL File】
2H-1,2-BENZOTHIAZINE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-1,2-BENZOTHIAZINE-4-CARBOXAMIDE, N-(4-BROMOPHENYL)-3,4-DIHYDRO-2-METHYL-3-OXO-, 1,1-DIOXIDE.cml