1216720-69-2
N3-CYCLOPROPYL-7-[[4-(1-METHYLETHYL)PHENYL]METHYL]-7H-PYRROLO[3,2-F]QUINAZOLINE-1,3-DIAMINE DIHYDROCHLORIDE
NameN3-CYCLOPROPYL-7-[[4-(1-METHYLETHYL)PHENYL]METHYL]-7H-PYRROLO[3,2-F]QUINAZOLINE-1,3-DIAMINE DIHYDROCHLORIDE
FormulaC23 H25 N5 . 2 Cl H
1Identification
【Name】
N3-CYCLOPROPYL-7-[[4-(1-METHYLETHYL)PHENYL]METHYL]-7H-PYRROLO[3,2-F]QUINAZOLINE-1,3-DIAMINE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD04039788
【English Synonyms】
【Formula】
C23 H25 N5 . 2 Cl H
【MolWeight】
444.407
【Inchi】
InChI=1S/C23H25N5.2ClH/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17;;/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27);2*1H
【InChIKey】
InChIKey=NNJTXSQXGHYXAJ-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc(cc1)Cn2ccc3c2ccc4c3c(nc(n4)NC5CC5)N.Cl.Cl
【MOL File】
N3-CYCLOPROPYL-7-[[4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N3-CYCLOPROPYL-7-[[4-(1-METHYLETHYL)PHENYL]METHYL]-7H-PYRROLO[3,2-F]QUINAZOLINE-1,3-DIAMINE DIHYDROCHLORIDE.cml