478048-83-8
3-(TERT-BUTYL)-6-METHYL-4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
Name3-(TERT-BUTYL)-6-METHYL-4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
1Identification
【Name】
3-(TERT-BUTYL)-6-METHYL-4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE
【CAS】
【MDL】
MFCD01814465
【English Synonyms】
【Formula】
C20 H25 N O3 S
【MolWeight】
359.487
【Inchi】
InChI=1S/C20H25NO3S/c1-14-6-9-16(10-7-14)25(22,23)21-17-12-15(2)8-11-18(17)24-13-19(21)20(3,4)5/h6-12,19H,13H2,1-5H3
【InChIKey】
InChIKey=XITWLUWLYLPZIK-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)N2c3cc(ccc3OCC2C(C)(C)C)C
【MOL File】
3-(TERT-BUTYL)-6-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(TERT-BUTYL)-6-METHYL-4-[(4-METHYLPHENYL)SULFONYL]-3,4-DIHYDRO-2H-1,4-BENZOXAZINE.cml