101018-80-8
(1)BENZOTHIOPYRANO(3,4-D)IMIDAZOL-4(1H)-ONE, 1-BUTYL-2-(1-PIPERIDINYLM ETHYL)-
Name(1)BENZOTHIOPYRANO(3,4-D)IMIDAZOL-4(1H)-ONE, 1-BUTYL-2-(1-PIPERIDINYLM ETHYL)-
1Identification
【Name】
(1)BENZOTHIOPYRANO(3,4-D)IMIDAZOL-4(1H)-ONE, 1-BUTYL-2-(1-PIPERIDINYLM ETHYL)-
【CAS】
【MDL】
MFCD01663570
【English Synonyms】
【Formula】
C20 H25 N3 O S
【MolWeight】
355.504
【Inchi】
InChI=1S/C20H25N3OS/c1-2-3-13-23-17(14-22-11-7-4-8-12-22)21-18-19(23)15-9-5-6-10-16(15)25-20(18)24/h5-6,9-10H,2-4,7-8,11-14H2,1H3
【InChIKey】
InChIKey=APKDNAHEMGOTMQ-UHFFFAOYSA-N
【SMILES】
CCCCn1c(nc2c1c3ccccc3sc2=O)CN4CCCCC4
【MOL File】
(1)BENZOTHIOPYRANO(3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1)BENZOTHIOPYRANO(3,4-D)IMIDAZOL-4(1H)-ONE, 1-BUTYL-2-(1-PIPERIDINYLM ETHYL)-.cml