126684-59-1
4-(3-CHLOROPHENYL)-5,6,7,8,9,10-HEXAHYDRO-4H-[1]BENZOTHIENO[3,2-F]PYRROLO[1,2-A][1,4]DIAZEPINE
Name4-(3-CHLOROPHENYL)-5,6,7,8,9,10-HEXAHYDRO-4H-[1]BENZOTHIENO[3,2-F]PYRROLO[1,2-A][1,4]DIAZEPINE
1Identification
【Name】
4-(3-CHLOROPHENYL)-5,6,7,8,9,10-HEXAHYDRO-4H-[1]BENZOTHIENO[3,2-F]PYRROLO[1,2-A][1,4]DIAZEPINE
【CAS】
【MDL】
MFCD01763023
【English Synonyms】
【Formula】
C20 H19 Cl N2 S
【MolWeight】
354.903
【Inchi】
InChI=1S/C20H19ClN2S/c21-14-6-3-5-13(11-14)19-17-8-4-10-23(17)20-16(12-22-19)15-7-1-2-9-18(15)24-20/h3-6,8,10-11,19,22H,1-2,7,9,12H2
【InChIKey】
InChIKey=ACMUPPDDQFBFEE-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)C2c3cccn3-c4c(c5c(s4)CCCC5)CN2
【MOL File】
4-(3-CHLOROPHENYL)-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-CHLOROPHENYL)-5,6,7,8,9,10-HEXAHYDRO-4H-[1]BENZOTHIENO[3,2-F]PYRROLO[1,2-A][1,4]DIAZEPINE.cml