554452-55-0
1H-PYRROLO[2,3-B]PYRIDINE-3-ETHANAMINE, N,N-DIMETHYL-1-[(PHENYLMETHYL)SULFONYL]-
Name1H-PYRROLO[2,3-B]PYRIDINE-3-ETHANAMINE, N,N-DIMETHYL-1-[(PHENYLMETHYL)SULFONYL]-
1Identification
【Name】
1H-PYRROLO[2,3-B]PYRIDINE-3-ETHANAMINE, N,N-DIMETHYL-1-[(PHENYLMETHYL)SULFONYL]-
【CAS】
【MDL】
MFCD11616464
【English Synonyms】
【Formula】
C18 H21 N3 O2 S
【MolWeight】
343.449
【Inchi】
InChI=1S/C18H21N3O2S/c1-20(2)12-10-16-13-21(18-17(16)9-6-11-19-18)24(22,23)14-15-7-4-3-5-8-15/h3-9,11,13H,10,12,14H2,1-2H3
【InChIKey】
InChIKey=BSXJKTBYZUZCAK-UHFFFAOYSA-N
【SMILES】
CN(C)CCc1cn(c2c1cccn2)S(=O)(=O)Cc3ccccc3
【MOL File】
1H-PYRROLO[2,3-B]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[2,3-B]PYRIDINE-3-ETHANAMINE, N,N-DIMETHYL-1-[(PHENYLMETHYL)SULFONYL]-.cml