300842-64-2
N-(3-BROMO-4-METHYLPHENYL)-4-(PYRIDIN-4-YLMETHYL)PHTHALAZIN-1-AMINE
NameN-(3-BROMO-4-METHYLPHENYL)-4-(PYRIDIN-4-YLMETHYL)PHTHALAZIN-1-AMINE
1Identification
【Name】
N-(3-BROMO-4-METHYLPHENYL)-4-(PYRIDIN-4-YLMETHYL)PHTHALAZIN-1-AMINE
【CAS】
【MDL】
MFCD17014834
【English Synonyms】
【Formula】
C21 H17 Br N4
【MolWeight】
405.297
【Inchi】
InChI=1S/C21H17BrN4/c1-14-6-7-16(13-19(14)22)24-21-18-5-3-2-4-17(18)20(25-26-21)12-15-8-10-23-11-9-15/h2-11,13H,12H2,1H3,(H,24,26)
【InChIKey】
InChIKey=GXWKSXUPEFVUOO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1Br)Nc2c3ccccc3c(nn2)Cc4ccncc4
【MOL File】
N-(3-BROMO-4-METHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-BROMO-4-METHYLPHENYL)-4-(PYRIDIN-4-YLMETHYL)PHTHALAZIN-1-AMINE.cml