428483-62-9
3-AMINO-N-(3-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]THIENO[3,2-E]PYRIDINE-2-CARBOXAMIDE
Name3-AMINO-N-(3-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]THIENO[3,2-E]PYRIDINE-2-CARBOXAMIDE
1Identification
【Name】
3-AMINO-N-(3-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]THIENO[3,2-E]PYRIDINE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD02028990
【English Synonyms】
【Formula】
C20 H21 N3 O S
【MolWeight】
351.472
【Inchi】
InChI=1S/C20H21N3OS/c1-12-6-5-8-14(10-12)22-19(24)18-17(21)15-11-13-7-3-2-4-9-16(13)23-20(15)25-18/h5-6,8,10-11H,2-4,7,9,21H2,1H3,(H,22,24)
【InChIKey】
InChIKey=PMGJZNOLBOEOKH-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)NC(=O)c2c(c3cc4c(nc3s2)CCCCC4)N
【MOL File】
3-AMINO-N-(3-METHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-N-(3-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]THIENO[3,2-E]PYRIDINE-2-CARBOXAMIDE.cml