554452-56-1
1H-PYRROLO[2,3-B]PYRIDINE-3-ETHANAMINE, N,N-DIMETHYL-1-(2-NAPHTHALENYLSULFONYL)-
Name1H-PYRROLO[2,3-B]PYRIDINE-3-ETHANAMINE, N,N-DIMETHYL-1-(2-NAPHTHALENYLSULFONYL)-
1Identification
【Name】
1H-PYRROLO[2,3-B]PYRIDINE-3-ETHANAMINE, N,N-DIMETHYL-1-(2-NAPHTHALENYLSULFONYL)-
【CAS】
【MDL】
MFCD11616463
【English Synonyms】
【Formula】
C21 H21 N3 O2 S
【MolWeight】
379.482
【Inchi】
InChI=1S/C21H21N3O2S/c1-23(2)13-11-18-15-24(21-20(18)8-5-12-22-21)27(25,26)19-10-9-16-6-3-4-7-17(16)14-19/h3-10,12,14-15H,11,13H2,1-2H3
【InChIKey】
InChIKey=COHWFVKDPZSJED-UHFFFAOYSA-N
【SMILES】
CN(C)CCc1cn(c2c1cccn2)S(=O)(=O)c3ccc4ccccc4c3
【MOL File】
1H-PYRROLO[2,3-B]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[2,3-B]PYRIDINE-3-ETHANAMINE, N,N-DIMETHYL-1-(2-NAPHTHALENYLSULFONYL)-.cml