866051-03-8
ETHYL 6-(ETHYLSULFONYL)-4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLATE
NameETHYL 6-(ETHYLSULFONYL)-4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLATE
1Identification
【Name】
ETHYL 6-(ETHYLSULFONYL)-4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD05256184
【English Synonyms】
【Formula】
C20 H23 N O7 S2
【MolWeight】
453.534
【Inchi】
InChI=1S/C20H23NO7S2/c1-4-27-20(22)19-13-21(30(25,26)15-8-6-14(3)7-9-15)17-12-16(29(23,24)5-2)10-11-18(17)28-19/h6-12,19H,4-5,13H2,1-3H3
【InChIKey】
InChIKey=OWGSIUNSEKGGPX-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1CN(c2cc(ccc2O1)S(=O)(=O)CC)S(=O)(=O)c3ccc(cc3)C
【MOL File】
ETHYL 6-(ETHYLSULFON….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 6-(ETHYLSULFONYL)-4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLATE.cml