24237-34-1
METHYL 2-AMINO-6-BENZYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLATE
NameMETHYL 2-AMINO-6-BENZYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLATE
1Identification
【Name】
METHYL 2-AMINO-6-BENZYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD02287900
【English Synonyms】
【Formula】
C16 H18 N2 O2 S
【MolWeight】
302.396
【Inchi】
InChI=1S/C16H18N2O2S/c1-20-16(19)14-12-7-8-18(10-13(12)21-15(14)17)9-11-5-3-2-4-6-11/h2-6H,7-10,17H2,1H3
【InChIKey】
InChIKey=QKWWVWMPMBDFBM-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c2c(sc1N)CN(CC2)Cc3ccccc3
【MOL File】
METHYL 2-AMINO-6-BEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-AMINO-6-BENZYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLATE.cml