793716-17-3
(2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-3-YL)(3,5-DIMETHOXYPHENYL)METHANONE
Name(2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-3-YL)(3,5-DIMETHOXYPHENYL)METHANONE
1Identification
【Name】
(2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-3-YL)(3,5-DIMETHOXYPHENYL)METHANONE
【CAS】
【MDL】
MFCD06364482
【English Synonyms】
【Formula】
C18 H21 N O3 S
【MolWeight】
331.434
【Inchi】
InChI=1S/C18H21NO3S/c1-10-4-5-14-15(6-10)23-18(19)16(14)17(20)11-7-12(21-2)9-13(8-11)22-3/h7-10H,4-6,19H2,1-3H3
【InChIKey】
InChIKey=OEYBEDPNONVHAN-UHFFFAOYSA-N
【SMILES】
CC1CCc2c(sc(c2C(=O)c3cc(cc(c3)OC)OC)N)C1
【MOL File】
(2-AMINO-6-METHYL-4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-3-YL)(3,5-DIMETHOXYPHENYL)METHANONE.cml