898761-67-6
3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4'-THIOMETHYL BENZOPHENONE
Name3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4'-THIOMETHYL BENZOPHENONE
1Identification
【Name】
3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4'-THIOMETHYL BENZOPHENONE
【CAS】
【MDL】
MFCD03842191
【English Synonyms】
【Formula】
C22 H25 N O3 S
【MolWeight】
383.509
【Inchi】
InChI=1S/C22H25NO3S/c1-27-20-7-5-18(6-8-20)21(24)19-4-2-3-17(15-19)16-23-11-9-22(10-12-23)25-13-14-26-22/h2-8,15H,9-14,16H2,1H3
【InChIKey】
InChIKey=QAECQOFXHCVWIS-UHFFFAOYSA-N
【SMILES】
CSc1ccc(cc1)C(=O)c2cccc(c2)CN3CCC4(CC3)OCCO4
【MOL File】
3-[8-(1,4-DIOXA-8-AZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4'-THIOMETHYL BENZOPHENONE.cml