101040-99-7
1-(2-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-(2-PHENOXYETHYL) PIPERAZINE
Name1-(2-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-(2-PHENOXYETHYL) PIPERAZINE
1Identification
【Name】
1-(2-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-(2-PHENOXYETHYL) PIPERAZINE
【CAS】
【MDL】
MFCD00837519
【English Synonyms】
【Formula】
C26 H27 Cl N2 O S
【MolWeight】
451.031
【Inchi】
InChI=1S/C26H27ClN2OS/c27-21-10-11-25-20(18-21)19-24(23-8-4-5-9-26(23)31-25)29-14-12-28(13-15-29)16-17-30-22-6-2-1-3-7-22/h1-11,18,24H,12-17,19H2
【InChIKey】
InChIKey=BSBCEHLRWDJUHZ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)OCCN2CCN(CC2)C3Cc4cc(ccc4Sc5c3cccc5)Cl
【MOL File】
1-(2-CHLORO-10,11-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-YL)-4-(2-PHENOXYETHYL) PIPERAZINE.cml