950909-10-1
6-BROMO-2-METHYL-3-[(3S)-3-PIPERIDINYLMETHYL]-4(3H)-QUINAZOLINONE
Name6-BROMO-2-METHYL-3-[(3S)-3-PIPERIDINYLMETHYL]-4(3H)-QUINAZOLINONE
1Identification
【Name】
6-BROMO-2-METHYL-3-[(3S)-3-PIPERIDINYLMETHYL]-4(3H)-QUINAZOLINONE
【CAS】
【MDL】
MFCD11974742
【English Synonyms】
【Formula】
C15 H18 Br N3 O
【MolWeight】
336.231
【Inchi】
InChI=1S/C15H18BrN3O/c1-10-18-14-5-4-12(16)7-13(14)15(20)19(10)9-11-3-2-6-17-8-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3/t11-/m0/s1
【InChIKey】
InChIKey=PRULKTBYTKFULY-NSHDSACASA-N
【SMILES】
Cc1nc2ccc(cc2c(=O)n1C[C@H]3CCCNC3)Br
【MOL File】
6-BROMO-2-METHYL-3-[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-BROMO-2-METHYL-3-[(3S)-3-PIPERIDINYLMETHYL]-4(3H)-QUINAZOLINONE.cml