101018-79-5
(1)BENZOTHIOPYRANO(3,4-D)IMIDAZOL-4(1H)-ONE, 1-METHYL-2-(1-PIPERIDINYL METHYL)-
Name(1)BENZOTHIOPYRANO(3,4-D)IMIDAZOL-4(1H)-ONE, 1-METHYL-2-(1-PIPERIDINYL METHYL)-
1Identification
【Name】
(1)BENZOTHIOPYRANO(3,4-D)IMIDAZOL-4(1H)-ONE, 1-METHYL-2-(1-PIPERIDINYL METHYL)-
【CAS】
【MDL】
MFCD01663575
【English Synonyms】
【Formula】
C17 H19 N3 O S
【MolWeight】
313.423
【Inchi】
InChI=1S/C17H19N3OS/c1-19-14(11-20-9-5-2-6-10-20)18-15-16(19)12-7-3-4-8-13(12)22-17(15)21/h3-4,7-8H,2,5-6,9-11H2,1H3
【InChIKey】
InChIKey=XLHLSNWHPWPAOF-UHFFFAOYSA-N
【SMILES】
Cn1c(nc2c1c3ccccc3sc2=O)CN4CCCCC4
【MOL File】
(1)BENZOTHIOPYRANO(3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1)BENZOTHIOPYRANO(3,4-D)IMIDAZOL-4(1H)-ONE, 1-METHYL-2-(1-PIPERIDINYL METHYL)-.cml